SCHEMBL3602693

SCHEMBL3602693

CSc1ccc(SC)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GABRA5 P31644 1/20 0.32
SLC6A4 P31645 2/20 0.31
NOS3 P29474 2/20 0.31
NOS1 P29475 2/20 0.31
MBOAT4 Q96T53 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MITF O75030 1/20 0.31
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ROCK1 Q13464 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
NISCH Q9Y2I1 1/20 0.31

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
SCHEMBL12795679 0.76 HTR7 (0.36) ALDH1A1KDM4ESLC6A4MBOAT4PKM
SCHEMBL485398 0.75
SCHEMBL2894259 0.75
SCHEMBL18808390 0.73
SCHEMBL8441489 0.73
SCHEMBL24137133 0.73
SCHEMBL181102 0.73
SCHEMBL5644739 0.73
SCHEMBL5700222 0.73
SCHEMBL19231242 0.73

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4616087-A ANTIVIRAL ACTIVITY THE DOW CHEMICAL COMPANY (US) 1986-10-07 US claimed
US-20180072725-A1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2018-03-15 US disclosed
US-9890155-B2 Aza-oxo-indoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMANN-LA ROCHE INC. (US) 2018-02-13 US disclosed
EP-1600442-B1 HETEROARYLCARBAMOYLBENZENE DERIVATIVE MSD KK (JP) 2018-01-17 EP disclosed
EP-3033333-A1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2016-06-22 EP disclosed
US-20160159794-A1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2016-06-09 US disclosed
WO-2015022301-A1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2015-02-19 WO disclosed
US-7754743-B2 Heteroarylcarbamoylbenzene derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-07-13 US disclosed
US-20090018056-A1 Heteroarylcarbamoylbenzene derivatives MSD K.K. (JP) 2009-01-15 US disclosed
US-7432287-B2 Heteroarylcarbamoylbenzene derivative BANYU PHARMECEUTICAL CO., LTD. (JP) 2008-10-07 US disclosed
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative MSD K.K. (JP) 2006-07-27 US disclosed
EP-1600442-A1 HETEROARYLCARBAMOYLBENZENE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-30 EP disclosed
EP-1233959-B1 HETEROCYCLO-ALKYLSULFONYL PYRAZOLE DERIVATIVES AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER PROD INC (US) 2005-03-16 EP disclosed
US-20030236258-A1 Heterocyclo-alkylsulfonyl pyrazole derivatives as anti-inflammatory/analgesic agents PFIZER INC. 2003-12-25 US disclosed
US-6531492-B1 Heterocyclo-alkylsulfonyl pyrazole derivatives as anti-inflammatory/analgesic agents PFIZER INC. 2003-03-11 US disclosed
EP-1233959-A1 HETEROCYCLO-ALKYLSULFONYL PYRAZOLE DERIVATIVES AS ANTI-INFLAMMATORY/ANALGESIC AGENTS Pfizer Products Inc. (US) 2002-08-28 EP disclosed
WO-2001040216-A1 HETEROCYCLO-ALKYLSULFONYL PYRAZOLE DERIVATIVES AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER PRODUCTS INC. (US) 2001-06-07 WO disclosed
US-4616087-A ANTIVIRAL ACTIVITY THE DOW CHEMICAL COMPANY (US) 1986-10-07 US disclosed
US-4371537-A Sulfur-substituted phenoxypyridines having antiviral activity THE DOW CHEMICAL COMPANY (US) 1983-02-01 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 (5 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-20030236258-A1 Heterocyclo-alkylsulfonyl pyrazole derivatives as anti-inflammatory/analgesic agents PTGS1, SULT2A1, PTGES3 ALDH1A1 211/4885OPRM1 1462/4885OPRL1 141/4885
US-20090018056-A1 Heteroarylcarbamoylbenzene derivatives GCK, GCKR, KHK ALDH1A1 707/4885OPRM1 2830/4885OPRL1 3624/4885
US-20160159794-A1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION ZC3HAV1, IDO1, TET1 ALDH1A1 2206/4885OPRM1 2251/4885OPRL1 4158/4885
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative GCK, GCKR, GALK1 ALDH1A1 902/4885OPRM1 3895/4885OPRL1 4342/4885
US-20180072725-A1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION ZC3HAV1, IDO1, TET1 ALDH1A1 2206/4885OPRM1 2251/4885OPRL1 4158/4885

“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.