SCHEMBL3672962

SCHEMBL3672962

CC(C)(C)OC(=O)NCc1ccc(C(=O)O)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.49
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
KDM4A O75164 1/20 0.42
IDO1 P14902 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
HDAC6 Q9UBN7 2/20 0.39
PTPN11 Q06124 1/20 0.39
DAO P14920 1/20 0.39
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL8255339 0.90 HPGD (0.48) TP53RAB9ANPC1ALDH1A1MAPT
SCHEMBL30466780 0.88 ALDH1A1 (0.48) TP53RAB9ANPC1ALDH1A1MAPT
SCHEMBL8253095 0.87 RAB9A (0.43) RAB9ANPC1ALDH1A1MAPTHTT
SCHEMBL25746056 0.85 RAB9A (0.48) TP53RAB9ANPC1ALDH1A1MAPT
SCHEMBL31710625 0.85 RAB9A (0.42) RAB9ANPC1ALDH1A1MAPTHTT
SCHEMBL11311708 0.82 KDM4A (0.42) MAPTKDM4AIDO1L3MBTL1CA12
SCHEMBL11058003 0.82 ALDH1A1 (0.40) TP53RAB9ANPC1ALDH1A1MAPT
SCHEMBL11057998 0.82 ALDH1A1 (0.40) TP53RAB9ANPC1ALDH1A1MAPT
SCHEMBL130176 0.82 PRMT6 (0.47) TP53ALDH1A1KDM4ATDP1L3MBTL1
SCHEMBL31486392 0.82 KDM4A (0.44) KDM4ATDP1L3MBTL1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240294499-A1 TARGETED PROTEIN DEGRADATION USING BIFUNCTIONAL COMPOUNDS THAT BIND UBIQUITIN LIGASE AND TARGET MCL-1 PROTEIN CAPTOR THERAPEUTICS S.A. (PL) 2024-09-05 US disclosed
US-20230065745-A1 PIPERIDINE-2,6-DIONE DERIVATIVES WHICH BIND TO CEREBLON, AND METHODS OF USE THEREOF CAPTOR THERAPEUTICS S.A. (PL) 2023-03-02 US disclosed
WO-2021105335-A1 PIPERIDINE-2, 6-DIONE DERIVATIVES WHICH BIND TO CEREBLON, AND METHODS OF USE THEREOF CAPTOR THERAPEUTICS S.A. (PL) 2021-06-03 WO disclosed
EP-3292118-A1 AMINOESTER DERIVATIVES Chiesi Farmaceutici S.p.A. (IT) 2018-03-14 EP disclosed
US-20180016265-A1 AMINOESTER DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 2018-01-18 US disclosed
US-20180016265-A1 AMINOESTER DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 2018-01-18 US disclosed
US-20180016265-A1 AMINOESTER DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 2018-01-18 US disclosed
US-9809582-B2 Aminoester derivatives CHIESI FARMACEUTICI S.P.A. (IT) 2017-11-07 US disclosed
US-9809582-B2 Aminoester derivatives CHIESI FARMACEUTICI S.P.A. (IT) 2017-11-07 US disclosed
US-9809582-B2 Aminoester derivatives CHIESI FARMACEUTICI S.P.A. (IT) 2017-11-07 US disclosed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 US disclosed
US-6599916-B2 Treating a disease or condition in a mammal, wherein the alpha 7 nicotinic acetylcholine receptor is implicated, Alzheimer's disease, pre-senile dementia (mild cognitive impairment), or senile dementia. PHARMACIA & UPJOHN COMPANY 2003-07-29 US disclosed
EP-1311505-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE ( NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ) PHARMACIA & UPJOHN COMPANY (US) 2003-05-21 EP disclosed
US-6492385-B2 CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY 2002-12-10 US disclosed
US-20020091135-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY GLOBAL INTELLECTUAL PROPERTY 2002-07-11 US disclosed
US-20020042428-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY 2002-04-11 US disclosed
US-20020042429-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY 2002-04-11 US disclosed
WO-2002015662-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO disclosed
WO-2002016355-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC) ACETYLCHOLINE RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO disclosed
WO-2002017358-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS) PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO 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 (7 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-20180016265-A1 AMINOESTER DERIVATIVES PDE4A, PDE3A, PDE3B TP53 4316/4885RAB9A 2754/4885NPC1 4366/4885
US-20240294499-A1 TARGETED PROTEIN DEGRADATION USING BIFUNCTIONAL COMPOUNDS THAT BIND UBIQUITIN LIGASE AND TARGET MCL-1 PROTEIN MCL1, MDM2, XIAP TP53 32/4885RAB9A 2612/4885NPC1 1894/4885
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease MALT1, WFS1, NR5A1 TP53 2577/4885RAB9A 1437/4885NPC1 224/4885
US-20020042428-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease NQO2, GBA1, UGT1A1 TP53 2288/4885RAB9A 138/4885NPC1 33/4885
US-20020042429-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PARK7, CYP3A7, UGT2B7 TP53 1996/4885RAB9A 422/4885NPC1 51/4885
US-20230065745-A1 PIPERIDINE-2,6-DIONE DERIVATIVES WHICH BIND TO CEREBLON, AND METHODS OF USE THEREOF CRBN, CDR2, FABP7 TP53 3722/4885RAB9A 3890/4885NPC1 2367/4885
US-20020091135-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease NQO2, GBA1, UGT1A1 TP53 2288/4885RAB9A 138/4885NPC1 33/4885

“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.