SCHEMBL63833

SCHEMBL63833

COC(=O)c1ccc(NS(C)(=O)=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.70
RECQL P46063 1/20 0.70
POLB P06746 1/20 0.65
HTT P42858 2/20 0.60
MAPK10 P53779 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.58
KDM4E B2RXH2 1/20 0.58
HSD17B10 Q99714 1/20 0.58
ALDH1A1 P00352 3/20 0.56
MAPT P10636 2/20 0.56
GAA P10253 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
CA12 O43570 1/20 0.53
CA7 P43166 1/20 0.53

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
SCHEMBL5899945 0.95 HPGD (0.64) HPGDRECQLPOLBHTTMAPK10
SCHEMBL3023217 0.87 HPGD (0.57) HPGDRECQLPOLBHTTMAPK10
SCHEMBL6526759 0.85 HPGD (0.69) HPGDRECQLHTTSMN1; SMN2ALDH1A1
SCHEMBL6518780 0.83 HPGD (0.67) HPGDRECQLHTTSMN1; SMN2ALDH1A1
SCHEMBL6522527 0.83 HPGD (0.67) HPGDRECQLPOLBHTTSMN1; SMN2
SCHEMBL4753529 0.82 HPGD (1.00) HPGDRECQLSMN1; SMN2KDM4EALDH1A1
SCHEMBL25315174 0.81 MAPT (0.80) HPGDPOLBHTTSMN1; SMN2KDM4E
SCHEMBL6518784 0.81 HPGD (0.65) HPGDRECQLHTTSMN1; SMN2ALDH1A1
SCHEMBL21596154 0.81 HPGD (0.56) HPGDRECQLPOLBHTTSMN1; SMN2
SCHEMBL1020558 0.81 HPGD (1.00) HPGDRECQLPOLBHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11649251-B2 Substituted inhibitors of menin-MLL and methods of use KURA ONCOLOGY, INC. (US) 2023-05-16 US disclosed
US-20200216471-A1 SUBSTITUTED INHIBITORS OF MENIN-MLL AND METHODS OF USE KURA ONCOLOGY, INC. 2020-07-09 US disclosed
US-10301267-B2 Compounds ASTRAZENECA AB (SE) 2019-05-28 US disclosed
US-20170260143-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2017-09-14 US disclosed
US-9688640-B2 Methods of treating cancer with a pyrazole derivative ASTRAZENECA AB (SE) 2017-06-27 US disclosed
US-20150299134-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2015-10-22 US disclosed
US-20140066455-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2014-03-06 US disclosed
US-8604022-B2 N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1h-pyrazol-3-yl]-4-(3,4-dimethylpiperazin-1-yl)benzamide and salts thereof ASTRAZENECA AB (SE) 2013-12-10 US disclosed
US-20120129844-A1 N-[5-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-3-YL]-4-(3,4-DIMETHYLPIPERAZIN-1-YL)BENZAMIDE AND SALTS THEREOF ASTRAZENECA AB 2012-05-24 US disclosed
US-8129391-B2 N-[5-[2-(3,5-Dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-(3,4-dimethylpiperazin-1-yl)benzamide and salts thereof ASTRAZENECA AB (SE) 2012-03-06 US disclosed
WO-2008075068-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
WO-2007144379-A1 BICYCLIC COMPOUNDS USEFUL AS CATHEPSIN S INBHIBITORS MEDIVIR AB (SE) 2007-12-21 WO disclosed
US-20070135435-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-14 US disclosed
US-20060229336-A1 Ccr5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORPORATION 2006-10-12 US disclosed
WO-2006064286-A1 CATHEPSIN S INHIBITORS MEDIVIR UK LTD (GB) 2006-06-22 WO disclosed
EP-1569646-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-07 EP disclosed
WO-2004054974-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 WO disclosed
US-5244907-A Treatment of serotonin imbalance, increase in gastric motility, antiemetics, antiarrhythmia agents A. H. ROBINS COMPANY, INCORPORATED (US) 1993-09-14 US disclosed
US-5190953-A 1-azabicyclo(3.2.1.)octan-5-ylmethyl- or 1-azabicyclo(3.3.1) nonan-5-ylmethyl derivatives of carboxamides, thiocarboxamides or esters, thioesters A. H. ROBINS COMPANY, INCORPORATED (US) 1993-03-02 US disclosed
US-4900841-A 1-[4-[(methyl-sulfonyl)amino]benzoyl]aziridine SCHERING A.G. (DE) 1990-02-13 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 (9 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-10301267-B2 Compounds SLC10A1, CYP11B1, ABCB11 HPGD 612/4885RECQL 3102/4885POLB 3678/4885
US-11649251-B2 Substituted inhibitors of menin-MLL and methods of use MLLT1, MEN1, MLLT3 HPGD 4277/4885RECQL 2231/4885POLB 3045/4885
US-20070135435-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 HPGD 2681/4885RECQL 139/4885POLB 292/4885
US-20140066455-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 HPGD 918/4885RECQL 2969/4885POLB 4299/4885
US-20120129844-A1 N-[5-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-3-YL]-4-(3,4-DIMETHYLPIPERAZIN-1-YL)BENZAMIDE AND SALTS THEREOF PKD1, SDHA, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HPGD 1000/4885RECQL 3790/4885POLB 3647/4885
US-20170260143-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 HPGD 918/4885RECQL 2969/4885POLB 4299/4885
US-20060229336-A1 Ccr5 antagonists as therapeutic agents CCR5, CCR1, CXCR3 HPGD 473/4885RECQL 2658/4885POLB 1541/4885
US-20200216471-A1 SUBSTITUTED INHIBITORS OF MENIN-MLL AND METHODS OF USE MLLT1, MEN1, MLLT3 HPGD 4277/4885RECQL 2231/4885POLB 3045/4885
US-20150299134-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 HPGD 918/4885RECQL 2969/4885POLB 4299/4885

“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.