SCHEMBL3129587

SCHEMBL3129587

Cc1csc(S(=O)(=O)N(CC(C)C)c2cc3c(cc2OCc2ccc(C(=O)O)cc2)OCC3)n1

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.38
MAPK14 Q16539 1/20 0.34
CXCR3 P49682 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
MCL1 Q07820 1/20 0.34
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
RORC P51449 1/20 0.33
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33

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
SCHEMBL3135017 0.97 NR1H4 (0.38) NR1H4MAPK14CXCR3RXRARXRB
SCHEMBL3136182 0.89 MCL1 (0.33) NR1H4MAPK14MCL1KEAP1NFE2L2
SCHEMBL212551 0.88 RXRB (0.43) NR1H4RXRARXRBRXRGMCL1
Potassium SCHEMBL214696 0.88 RXRB (0.42) NR1H4RXRARXRBRXRGMCL1
SCHEMBL215438 0.88 RXRB (0.42) NR1H4RXRARXRBRXRGMCL1
SCHEMBL215440 0.88 RXRB (0.42) NR1H4RXRARXRBRXRGMCL1
SCHEMBL214694 0.88 RXRB (0.42) NR1H4RXRARXRBRXRGMCL1
SCHEMBL214741 0.86 NR1H4 (0.43) NR1H4RXRARXRBRXRGMCL1
SCHEMBL216100 0.84 NR1H4 (0.45) NR1H4RXRARXRBRXRGMCL1
SCHEMBL3144471 0.84 NR1H4 (0.40) NR1H4CXCR3RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181187-B2 Therapeutic agent for urinary excretion disorder ONO PHARMACEUTICAL CO., LTD. (JP) 2015-11-10 US disclosed
EP-2123273-B1 THERAPEUTIC AGENT FOR URINARY EXCRETION DISORDER ONO PHARMACEUTICAL CO (JP) 2013-10-23 EP disclosed
US-20100076038-A1 THERAPEUTIC AGENT FOR URINARY EXCRETION DISORDER ONO PHARMACEUTICAL CO., LTD. (JP) 2010-03-25 US disclosed
EP-2123273-A1 THERAPEUTIC AGENT FOR URINARY EXCRETION DISORDER ONO Pharmaceutical Co., Ltd. (JP) 2009-11-25 EP 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-20100076038-A1 THERAPEUTIC AGENT FOR URINARY EXCRETION DISORDER PTGER1, TMPRSS15, EPDR1 NR1H4 1549/4885MAPK14 1924/4885CXCR3 4689/4885

“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.