SCHEMBL7990837

SCHEMBL7990837

CC(C)C(=O)NC(CO)CO

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 4/20 0.40
CNR2 P34972 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
CNR1 P21554 1/20 0.33
ADRA1A P35348 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MME P08473 3/20 0.32
PAX8 Q06710 1/20 0.32
ABCC3 O15438 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL825584 0.88 TDP1 (0.44) CYP3A4MAPK1LMNACNR2TDP1
SCHEMBL13035554 0.86 TAS1R3 (0.40) CYP3A4MAPK1LMNACNR2CNR1
SCHEMBL14269010 0.86 TAS1R3 (0.40) CYP3A4MAPK1LMNACNR2CNR1
SCHEMBL13034816 0.86 TAS1R3 (0.40) CYP3A4MAPK1LMNACNR2CNR1
SCHEMBL14268998 0.84 TAS1R3 (0.40) CYP3A4MAPK1CNR2TDP1CNR1
SCHEMBL23613008 0.83 CYP3A4 (0.37) CYP3A4MAPK1LMNACNR2
SCHEMBL25927245 0.83 CYP3A4 (0.37) CYP3A4MAPK1LMNACNR2
SCHEMBL1399119 0.82 LMNA (0.50) CYP3A4MAPK1LMNATDP1CNR1
SCHEMBL25839087 0.81 CYP3A4 (0.36) CYP3A4MAPK1LMNACNR2TDP1
SCHEMBL12156779 0.81 DPP7 (0.41) CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6291620-B1 Polymer synthesis E. I. DU PONT DE NEMOURS AND COMPANY 2001-09-18 US claimed
US-11053216-B2 Compounds and methods of use MEDIVATION TECHNOLOGIES LLC (US) 2021-07-06 US disclosed
US-20200247812-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE INTEGRAL BIOSCIENCES PRIVATE LTD (IN) 2020-08-06 US disclosed
US-20200071296-A1 Compounds and Methods of Use MEDIVATION TECHNOLOGIES LLC 2020-03-05 US disclosed
US-20200038342-A1 FATTY ACID CYSTEAMINE CONJUGATES AND THEIR USE AS ACTIVATORS OF AUTOPHAGY CATABASIS PHARMACEUTICALS, INC. 2020-02-06 US disclosed
US-10329257-B2 Compositions and methods for treating tuberculosis THE BROAD INSTITUTE, INC. (US) 2019-06-25 US disclosed
US-10251845-B2 Fatty acid cysteamine conjugates and their use as activators of autophagy CATABASIS PHARMACEUTICALS, INC. (US) 2019-04-09 US disclosed
US-20180208577-A1 Compounds and Methods of Use MEDIVATION TECHNOLOGIES LLC 2018-07-26 US disclosed
US-20170342046-A1 Fatty Acid Cysteine-Based Conjugates and Their Use in Treating Medical Disorders CATABASIS PHARMACEUTICALS, INC. 2017-11-30 US disclosed
US-20170342046-A1 Fatty Acid Cysteine-Based Conjugates and Their Use in Treating Medical Disorders CATABASIS PHARMACEUTICALS, INC. 2017-11-30 US disclosed
US-9586956-B2 Isoquinoline and naphthyridine derivatives GENENTECH, INC. (US) 2017-03-07 US disclosed
US-20140343036-A1 ISOQUINOLINE AND NAPHTHYRIDINE DERIVATIVES GENENTECH, INC. (US) 2014-11-20 US disclosed
US-8481750-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-α]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-09 US disclosed
US-20120178734-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-12 US disclosed
US-20120178734-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-12 US disclosed
US-7977339-B2 Substituted imidazole 4-carboxamides as cholecystokinin-1 receptor modulators MERCK SHARP & DOHME CORP. (US) 2011-07-12 US disclosed
US-20100311649-A1 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2010-12-09 US disclosed
WO-2010141330-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-09 WO disclosed
US-7795265-B2 Substituted imidazole 4-carboxamides as cholecystokinin-1 receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-09-14 US disclosed
US-20090118300-A1 Substituted Imidazole 4-Carboxamides as Cholecystokinin-1 Receptor Modulators MERCK SHARP & DOHME LLC 2009-05-07 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 (12 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-20090118300-A1 Substituted Imidazole 4-Carboxamides as Cholecystokinin-1 Receptor Modulators CCKAR, CCKBR, GPR119 CYP3A4 1362/4885MAPK1 702/4885LMNA 4724/4885
US-20170342046-A1 Fatty Acid Cysteine-Based Conjugates and Their Use in Treating Medical Disorders CPT2, FABP1, ACAA2 CYP3A4 3761/4885MAPK1 3879/4885LMNA 3607/4885
US-10329257-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT CYP3A4 1639/4885MAPK1 3637/4885LMNA 1436/4885
US-20140343036-A1 ISOQUINOLINE AND NAPHTHYRIDINE DERIVATIVES NQO1, NDUFC2, NDUFV2 CYP3A4 84/4885MAPK1 2796/4885LMNA 992/4885
US-20200071296-A1 Compounds and Methods of Use TGFB2, TGFB1, HDGF CYP3A4 4780/4885MAPK1 3145/4885LMNA 2845/4885
US-10251845-B2 Fatty acid cysteamine conjugates and their use as activators of autophagy NDUFAB1, ATG7, NLN CYP3A4 1864/4885MAPK1 4178/4885LMNA 2734/4885
US-11053216-B2 Compounds and methods of use TGFB2, TGFB1, HDGF CYP3A4 4780/4885MAPK1 3145/4885LMNA 2845/4885
US-20120178734-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES ARG1, COL14A1, HPGDS CYP3A4 1846/4885MAPK1 1269/4885LMNA 3234/4885
US-20100311649-A1 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS CCKAR, CCKBR, GPR119 CYP3A4 1362/4885MAPK1 702/4885LMNA 4724/4885
US-20180208577-A1 Compounds and Methods of Use TGFB2, TGFB1, HDGF CYP3A4 4780/4885MAPK1 3145/4885LMNA 2845/4885
US-20200247812-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE ACVR1, ACVRL1, ALK CYP3A4 1485/4885MAPK1 1109/4885LMNA 1500/4885
US-20200038342-A1 FATTY ACID CYSTEAMINE CONJUGATES AND THEIR USE AS ACTIVATORS OF AUTOPHAGY ATG7, ATG4A, SLC27A1 CYP3A4 3185/4885MAPK1 3810/4885LMNA 3632/4885

“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.