SCHEMBL216701

SCHEMBL216701

CC(C)Sc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
MMP2 P08253 1/20 0.48
MMP8 P22894 1/20 0.48
MMP14 P50281 1/20 0.48
TSHR P16473 1/20 0.47
MMP1 P03956 1/20 0.44
ADRB2 P07550 1/20 0.42
HPGD P15428 3/20 0.42
LMNA P02545 2/20 0.42
CYP2A6 P11509 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 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
SCHEMBL11097930 0.84 MAPK1 (0.52) HSD17B10CYP2C9CYP2C19MMP2MMP8
SCHEMBL315823 0.82 HSD17B10 (0.48) HSD17B10CYP2C9CYP2C19MMP2MMP8
SCHEMBL7123357 0.80 HSD17B10 (0.52) HSD17B10CYP2C9CYP2C19MMP2MMP8
SCHEMBL15241839 0.80 CYP2C9 (0.47) HSD17B10CYP2C9CYP2C19MMP2MMP8
SCHEMBL12356893 0.79 LMNA (0.42) CYP2C9CYP2C19TSHRLMNACYP1A2
SCHEMBL21186075 0.78 XDH (0.44) CYP2C9CYP2C19TSHRLMNACYP1A2
SCHEMBL8588330 0.78 AR (0.38) HSD17B10CYP2C9CYP2C19TSHRHPGD
SCHEMBL10144008 0.77 TSHR (0.50) HSD17B10CYP2C9CYP2C19MMP2MMP8
SCHEMBL21103698 0.77 HSD17B10 (0.48) HSD17B10CYP2C9CYP2C19MMP2MMP8
SCHEMBL7245397 0.77 ADRB2 (0.46) HSD17B10CYP2C9CYP2C19MMP2MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088797-B2 Substituted N-(4-cyano-1H-pyrazol-3-yl)methylamine derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-01-03 US claimed
US-20100041709-A1 SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-02-18 US claimed
CN-117945964-A Synthesis method of aryl alkyl asymmetric thioether 中国人民解放军军事科学院防化研究院 2024-04-30 CN disclosed
EP-4234536-A2 AMINO-ARYL-BENZAMIDE COMPOUNDS AND METHODS OF USE THEREOF Hepanova, Inc. (US) 2023-08-30 EP disclosed
US-20170275327-A1 SUBSTITUTED PHOSPHORAMIDATE COMPOUNDS AND USES THEREOF MERCK SHARP & DOHME LLC 2017-09-28 US disclosed
US-9340505-B2 Type III secretion inhibitors, analogs and uses thereof UNIVERSITY OF MASSACHUSETTS (US) 2016-05-17 US disclosed
US-20140323483-A1 TYPE III SECRETION INHIBITORS, ANALOGS AND USES THEREOF UNIVERSITY OF MASSACHUSETTS (US) 2014-10-30 US disclosed
US-20140045797-A1 Bisphosphonate-Prostatic Acid Phosphatase Inhibitor Conjugates To Treat Prostate Cancer Bone Metastasis LEHIGH UNIVERSITY (US) 2014-02-13 US disclosed
US-20130165464-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20130165483-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-8088797-B2 Substituted N-(4-cyano-1H-pyrazol-3-yl)methylamine derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-01-03 US disclosed
US-20110034463-A1 TYPE III SECRETION INHIBITORS, ANALOGS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-10 US disclosed
US-20100256092-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2010-10-07 US disclosed
US-20100041709-A1 SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-02-18 US disclosed
WO-2009145829-A1 TYPE III SECRETION INHIBITORS, ANALOGS AND USES THEREOF UNIVERSITY OF MASSACHUSETTS (US) 2009-12-03 WO disclosed
US-7598393-B2 Sulfonyl benzimidazole derivatives PFIZER INC. (US) 2009-10-06 US disclosed
EP-1809607-B1 SULFONYL BENZIMIDAZOLE DERIVATIVES PFIZER (US) 2008-12-17 EP disclosed
EP-1809607-A1 SULFONYL BENZIMIDAZOLE DERIVATIVES Pfizer, Inc. (US) 2007-07-25 EP disclosed
WO-2006048754-A1 SULFONYL BENZIMIDAZOLE DERIVATIVES PFIZER JAPAN INC. (JP) 2006-05-11 WO disclosed
US-20060094750-A1 Sulfonyl benzimidazole derivatives KON-I KANA 2006-05-04 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-20170275327-A1 SUBSTITUTED PHOSPHORAMIDATE COMPOUNDS AND USES THEREOF ADH1A, ADH1C, ADH5 HSD17B10 1108/4885CYP2C9 843/4885CYP2C19 1254/4885
US-20130165483-A1 HETEROARYLS AND USES THEREOF PIK3R5, PIK3R4, PIK3C2B HSD17B10 460/4885CYP2C9 2023/4885CYP2C19 2541/4885
US-20110034463-A1 TYPE III SECRETION INHIBITORS, ANALOGS AND USES THEREOF GBA3, CLPP, PEX3 HSD17B10 2910/4885CYP2C9 4055/4885CYP2C19 4051/4885
US-20140045797-A1 Bisphosphonate-Prostatic Acid Phosphatase Inhibitor Conjugates To Treat Prostate Cancer Bone Metastasis ACP3, BPGM, GNPAT HSD17B10 1222/4885CYP2C9 2650/4885CYP2C19 2741/4885
US-20100041709-A1 SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF PRMT3, PRMT5, PRMT1 HSD17B10 3907/4885CYP2C9 814/4885CYP2C19 396/4885
US-20130165464-A1 HETEROARYLS AND USES THEREOF PIK3C2B, PI4KB, PIK3R4 HSD17B10 712/4885CYP2C9 1294/4885CYP2C19 2158/4885
US-20140323483-A1 TYPE III SECRETION INHIBITORS, ANALOGS AND USES THEREOF GBA3, CLPP, PEX3 HSD17B10 2910/4885CYP2C9 4055/4885CYP2C19 4051/4885
US-20060094750-A1 Sulfonyl benzimidazole derivatives TRPV1, CNR2, CNR1 HSD17B10 4745/4885CYP2C9 1361/4885CYP2C19 1412/4885
US-20100256092-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD HSD17B10 2318/4885CYP2C9 3001/4885CYP2C19 3226/4885

“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.