SCHEMBL436631

SCHEMBL436631

Cc1ccc2c(c1)NC(=O)OC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.51
HTR5A P47898 2/20 0.44
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
EPHX2 P34913 1/20 0.38
PARP1 P09874 1/20 0.38
PARP10 Q53GL7 1/20 0.38
CSNK1G1 Q9HCP0 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL434348 0.86 CYP11B1 (0.51) MMP12HTR5ACYP11B1CYP11B2BRD4
SCHEMBL8873129 0.83 MMP12 (0.49) MMP12HTR5ABRD4CREBBPALDH1A1
SCHEMBL3586629 0.79 CA9 (0.54) CYP11B1CYP11B2GAAMAPTHSD17B10
SCHEMBL15788033 0.79 CYP11B1 (0.41) MMP12CYP11B1CYP11B2MAOAMAOB
SCHEMBL293956 0.79 CYP11B1 (0.41) CYP11B1CYP11B2BRD4CREBBPALDH1A1
SCHEMBL30646022 0.79 CYP11B1 (0.41) CYP11B1CYP11B2BRD4CREBBPALDH1A1
SCHEMBL3586627 0.79 CYP11B1 (0.41) MMP12CYP11B1CYP11B2PDE3BPDE3A
SCHEMBL8199094 0.78 PARP1 (0.55) CYP11B1CYP11B2ALDH1A1GAAMAPT
SCHEMBL13245111 0.78 CYP11B1 (0.39) CYP11B1CYP11B2ALDH1A1PDE3BPDE3A
SCHEMBL20364332 0.78 HPGD (0.43) CYP11B1CYP11B2ALDH1A1MAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3402790-B1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2021-10-06 EP disclosed
US-10385034-B2 Flavonoid IL-17A inhibitors THE CLEVELAND CLINIC FOUNDATION (US) 2019-08-20 US disclosed
US-20170152258-A9 Substituted Pyridopyrazines as Syk Inhibitors HUTCHISON MEDIPHARMA LIMITED (CN) 2017-06-01 US disclosed
US-20160068502-A1 FLAVONOID IL-17A INHIBITORS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2016-03-10 US disclosed
WO-2016037171-A1 FLAVONOID IL-17A INHIBITORS THE CLEVELAND CLINIC FOUNDATION (US) 2016-03-10 WO disclosed
US-20160068502-A1 FLAVONOID IL-17A INHIBITORS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2016-03-10 US disclosed
US-20160002221-A1 Substituted Pyridopyrazines as Syk Inhibitors HUTCHISON MEDIPHARMA LTD (CN) 2016-01-07 US disclosed
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
EP-2152664-B1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-09-03 EP disclosed
US-8071600-B2 Derivatives of 4-piperazin-1-yl-4-benzo[B]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-12-06 US disclosed
WO-2010137738-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-12-02 WO disclosed
WO-2010123139-A1 ARYLCARBOXAMIDE DERIVATIVE HAVING SULFAMOYL GROUP 持田製薬株式会社 (JP) 2010-10-28 WO disclosed
US-20090264404-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-10-22 US disclosed
US-20090264404-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-10-22 US disclosed
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
US-20070265242-A1 Novel Carbapenem Compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-11-15 US disclosed
US-20070265242-A1 Novel Carbapenem Compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-11-15 US disclosed
EP-1785426-A1 NOVEL CARBAPENEM COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-05-16 EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 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-20160068502-A1 FLAVONOID IL-17A INHIBITORS IL17A, IL2, IL15 MMP12 293/4885HTR5A 2825/4885CYP11B1 50/4885
US-20160002221-A1 Substituted Pyridopyrazines as Syk Inhibitors SYK, BTK, LYN MMP12 1496/4885HTR5A 1394/4885CYP11B1 3296/4885
US-20170152258-A9 Substituted Pyridopyrazines as Syk Inhibitors SYK, BTK, LYN MMP12 1496/4885HTR5A 1394/4885CYP11B1 3296/4885
US-20090264404-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders GRIN2C, GRIN2B, PMP22 MMP12 4572/4885HTR5A 130/4885CYP11B1 37/4885
US-20070265242-A1 Novel Carbapenem Compound C1R, C3AR1, OXA1L MMP12 637/4885HTR5A 4046/4885CYP11B1 1490/4885
US-10385034-B2 Flavonoid IL-17A inhibitors IL17A, IL2, IL15 MMP12 293/4885HTR5A 2825/4885CYP11B1 50/4885
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands NR3C2, NR3C1, MC2R MMP12 2560/4885HTR5A 348/4885CYP11B1 10/4885

“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.