SCHEMBL543449

SCHEMBL543449

COC(=O)c1cccc(N)c1SCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.56
PKM P14618 1/20 0.56
ALDH1A1 P00352 8/20 0.55
HSD17B10 Q99714 4/20 0.55
CFTR P13569 1/20 0.55
KDM4E B2RXH2 7/20 0.46
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
POLB P06746 2/20 0.45
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 3/20 0.43
TSHR P16473 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL8822600 0.84 L3MBTL1 (0.58) L3MBTL1PKMALDH1A1HSD17B10CFTR
SCHEMBL9086314 0.84 L3MBTL1 (0.51) L3MBTL1PKMALDH1A1HSD17B10CFTR
SCHEMBL8832101 0.83 KDM4E (0.58) L3MBTL1PKMALDH1A1HSD17B10KDM4E
SCHEMBL8831739 0.80 L3MBTL1 (0.53) L3MBTL1PKMALDH1A1HSD17B10KDM4E
SCHEMBL9522884 0.80 L3MBTL1 (0.53) L3MBTL1PKMALDH1A1HSD17B10CFTR
SCHEMBL543367 0.79 ALDH1A1 (0.54) L3MBTL1PKMALDH1A1KDM4EMAPK1
SCHEMBL9524381 0.79 L3MBTL1 (0.52) L3MBTL1PKMALDH1A1HSD17B10KDM4E
SCHEMBL9524388 0.79 L3MBTL1 (0.52) L3MBTL1PKMALDH1A1HSD17B10KDM4E
SCHEMBL8831608 0.79 L3MBTL1 (0.55) L3MBTL1PKMALDH1A1HSD17B10KDM4E
SCHEMBL9523762 0.78 L3MBTL1 (0.51) L3MBTL1PKMALDH1A1HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2141150-B1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2013-12-11 EP disclosed
US-8110585-B2 Bicyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-07 US disclosed
US-8110585-B2 Bicyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-07 US disclosed
US-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-27 US disclosed
US-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-27 US disclosed
CN-101687810-A Bicyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL 2010-03-31 CN disclosed
EP-2141150-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-01-06 EP disclosed
US-5658854-A Acylated aminophenylsulfonylureas; preparation and use as herbicides and plant growth regulators HOECHST SCHERING AGREVO GMBH (DE) 1997-08-19 US disclosed
CN-1033354-C Compositions of 7-substituted-benzo-1,2,3-thiadiazole derivetes CIBA GEIGY AG (CH) 1996-11-27 CN disclosed
CN-1033299-C Method for immured plant from disease CIBA GEIGY AG (CH) 1996-11-20 CN disclosed
CN-1068932-A Make plant have the method for immunity to disease CIBA GEIGY AG (CH) 1993-02-17 CN disclosed
CN-1068471-A Compositions of 7-substituted benzo-1, 2, 3-thiadiazole derivatives CIBA GEIGY AG (CH) 1993-02-03 CN 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 (1 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-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF MTNR1A, MTNR1B, XDH L3MBTL1 3605/4885PKM 3083/4885ALDH1A1 1431/4885

“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.