SCHEMBL13630710

SCHEMBL13630710

CC(C)(C)NC(Cc1ccc(O)cc1)C(=O)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.46
▸ ESR2 Q92731 3/20 0.46
▸ FOLH1 Q04609 1/20 0.44
▸ MDM4 O15151 1/20 0.44
▸ MDM2 Q00987 1/20 0.44
▸ ACE P12821 2/20 0.44
▸ MME P08473 1/20 0.44
▸ CPA1 P15085 1/20 0.44
▸ ACE2 Q9BYF1 1/20 0.44
▸ MIF P14174 1/20 0.43
▸ CTSS P25774 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ GRIA1 P42261 1/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12250708 1.00 ESR1 (0.46) ESR1ESR2FOLH1MDM4MDM2
SCHEMBL12250719 1.00 ESR1 (0.46) ESR1ESR2FOLH1MDM4MDM2
SCHEMBL10061085 0.87 ATM (0.43) ACEMMEACE2KMT2ANPSR1
SCHEMBL12250692 0.87 ATM (0.43) ACEMMEACE2KMT2ANPSR1
SCHEMBL26417010 0.87 ATM (0.43) ACEMMEACE2KMT2ANPSR1
SCHEMBL23065772 0.86 HDAC1 (0.45) MMECTSSCTSKKMT2ASMN1; SMN2
SCHEMBL12250727 0.86 NOS2 (0.45) ACECTSSCTSK
SCHEMBL23974737 0.86 LOXL2 (0.40) ACEMMEACE2GRIA1MAPT
SCHEMBL14011032 0.86 NOS2 (0.45) ACECTSSCTSK
SCHEMBL14347563 0.86 NOS2 (0.45) ACECTSSCTSK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365963-A1 METHODS FOR TREATING NEUROLOGICAL DISEASE ASKLEPIOS BIOPHARMACEUTICAL, INC. (US) 2023-11-16 — — US disclosed
US-11407741-B2 Compounds and their use as selective inhibitors of caspase-2 Universite De Paris (FR) 2022-08-09 — — US disclosed
US-20210228530-A1 TAXANE-LIPID-POLYSACCHARIDE DUAL CONJUGATES, PREPARATION METHODS THEREOF AND USES THEREOF SANTOLECAN PHARMACEUTICALS LLC 2021-07-29 — — US disclosed
US-20200317647-A1 NOVEL COMPOUNDS AND THEIR USE AS SELECTIVE INHIBITORS OF CASPASE-2 UNIVERSITÉ PARIS CITÉ (FR) 2020-10-08 — — US disclosed
US-9981008-B2 Apolipoprotein A-I mimics CERENIS THERAPEUTICS HOLDING SA (FR) 2018-05-29 — — US disclosed
US-20170298097-A1 Peptide Derivatives and Uses Thereof NOSOPHARM (FR) 2017-10-19 — — US disclosed
US-9593156-B2 Insulin analog dimers INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2017-03-14 — — US disclosed
US-9573987-B2 CTP-based insulin analogs for treatment of diabetes INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2017-02-21 — — US disclosed
US-20160340400-A1 SINGLE CHAIN INSULIN AGONISTS EXHIBITING HIGH ACTIVITY AT THE INSULIN RECEPTOR UNIV INDIANA RES & TECH CORP (US) 2016-11-24 — — US disclosed
US-20160324923-A1 APOLIPOPROTEIN A-I MIMICS CERENIS THERAPEUTICS HOLDING SA (FR) 2016-11-10 — — US disclosed
US-20130231459-A1 APOLIPOPROTEIN A-I MIMICS CERENIS THERAPEUTICS HOLDING SA (FR) 2013-09-05 — — US disclosed
US-20130203665-A1 SINGLE-CHAIN INSULIN AGONISTS EXHIBITING HIGH ACTIVITY AT THE INSULIN RECEPTOR INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2013-08-08 — — US disclosed
US-20130197226-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF LEFT VENTRICULAR DIASTOLIC DYSFUNCTION COMPRISING AN APOLIPOPROTEIN PEPTIDE/PHOSPHOLIPID COMPLEX INSTITUT DE CARDIOLOGIE DE MONTREAL (CA) 2013-08-01 — — US disclosed
US-20130123171-A1 AMIDE-BASED INSULIN PRODRUGS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORA (US) 2013-05-16 — — US disclosed
US-20120021982-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF LEFT VENTRICULAR DIASTOLIC DYSFUNCTION INSTITUT DE CARDIOLOGIE DE MONTREAL (CA) 2012-01-26 — — US disclosed
WO-2011156003-A2 PEPTOID AND SYNTHETIC OLIGOMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING SAME NEW YORK UNIVERSITY (US) 2011-12-15 — — WO disclosed
US-20110257076-A1 AMIDE BASED INSULIN PRODRUGS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2011-10-20 — — US disclosed
US-20110245164-A1 YL-BASED INSULIN-LIKE GROWTH FACTORS EXHIBITING HIGH ACTIVITY AT THE INSULIN RECEPTOR INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2011-10-06 — — US disclosed
US-20090281032-A1 Modified CCK peptides UNIVERSITY OF ULSTER (GB) 2009-11-12 — — US disclosed
US-7312211-B2 Pryanone compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2007-12-25 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130123171-A1 AMIDE-BASED INSULIN PRODRUGS IAPP, IDE, DNPEP ESR1 1236/4885ESR2 2536/4885FOLH1 530/4885
US-20110257076-A1 AMIDE BASED INSULIN PRODRUGS IAPP, IDE, DNPEP ESR1 1145/4885ESR2 2331/4885FOLH1 560/4885
US-20160324923-A1 APOLIPOPROTEIN A-I MIMICS APOB, APOL1, LIPG ESR1 2948/4885ESR2 1615/4885FOLH1 2075/4885
US-20120021982-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF LEFT VENTRICULAR DIASTOLIC DYSFUNCTION APOB, FABP3, TNNT2 ESR1 4022/4885ESR2 2453/4885FOLH1 2226/4885
US-20210228530-A1 TAXANE-LIPID-POLYSACCHARIDE DUAL CONJUGATES, PREPARATION METHODS THEREOF AND USES THEREOF DDOST, UGT2B17, UGT1A7 ESR1 4145/4885ESR2 3429/4885FOLH1 144/4885
US-20130197226-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF LEFT VENTRICULAR DIASTOLIC DYSFUNCTION COMPRISING AN APOLIPOPROTEIN PEPTIDE/PHOSPHOLIPID COMPLEX APOB, FABP3, PLTP ESR1 3767/4885ESR2 2232/4885FOLH1 1653/4885
US-20230365963-A1 METHODS FOR TREATING NEUROLOGICAL DISEASE HTT, ATP6V1B2, SYNCRIP ESR1 1937/4885ESR2 2052/4885FOLH1 1979/4885
US-20130203665-A1 SINGLE-CHAIN INSULIN AGONISTS EXHIBITING HIGH ACTIVITY AT THE INSULIN RECEPTOR IGF1R, GPR119, IRS1 ESR1 124/4885ESR2 430/4885FOLH1 977/4885
US-20200317647-A1 NOVEL COMPOUNDS AND THEIR USE AS SELECTIVE INHIBITORS OF CASPASE-2 CASP2, CASP1, CASP5 ESR1 2792/4885ESR2 2250/4885FOLH1 272/4885
US-20130231459-A1 APOLIPOPROTEIN A-I MIMICS APOB, APOL1, LIPG ESR1 2948/4885ESR2 1615/4885FOLH1 2075/4885
US-20170298097-A1 Peptide Derivatives and Uses Thereof VIP, IAPP, NGLY1 ESR1 2448/4885ESR2 1344/4885FOLH1 138/4885
US-20090281032-A1 Modified CCK peptides CCKAR, PTMS, VIP ESR1 3450/4885ESR2 2661/4885FOLH1 488/4885
US-11407741-B2 Compounds and their use as selective inhibitors of caspase-2 CASP2, CASP1, CASP3 ESR1 2752/4885ESR2 2380/4885FOLH1 249/4885
US-20110245164-A1 YL-BASED INSULIN-LIKE GROWTH FACTORS EXHIBITING HIGH ACTIVITY AT THE INSULIN RECEPTOR IGF1R, INSR, IGFBP1 ESR1 1484/4885ESR2 1687/4885FOLH1 1108/4885
US-20160340400-A1 SINGLE CHAIN INSULIN AGONISTS EXHIBITING HIGH ACTIVITY AT THE INSULIN RECEPTOR IGF1R, GPR119, IRS1 ESR1 131/4885ESR2 434/4885FOLH1 913/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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