SCHEMBL3139655

SCHEMBL3139655

Cc1csc(S(=O)(=O)N(CC(C)C)c2cc3c(cc2OCc2ccc(C(=O)O)s2)OCC3)n1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 1/20 0.33
▸ KEAP1 Q14145 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.33
▸ MMP2 P08253 1/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ CLK1 P49759 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ PLA2G10 O15496 1/20 0.30
▸ TP53 P04637 1/20 0.30

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
SCHEMBL3129587 0.87 NR1H4 (0.38) KEAP1NFE2L2MAPK14
SCHEMBL3134823 0.85 MRGPRX4 (0.35) MRGPRX4KEAP1NFE2L2MMP2MMP13
SCHEMBL3135017 0.84 NR1H4 (0.38) KEAP1NFE2L2MAPK14
SCHEMBL3136182 0.84 MCL1 (0.33) KEAP1NFE2L2MAPK14
SCHEMBL12361918 0.84 MRGPRX4 (0.35) MRGPRX4NPC1RAB9ATP53
SCHEMBL12361825 0.77 NPC1 (0.33) MRGPRX4NPC1RAB9ATP53
SCHEMBL212551 0.76 RXRB (0.43) NPC1RAB9A
SCHEMBL213408 0.75 MCL1 (0.34) MRGPRX4NPC1RAB9A
SCHEMBL214694 0.75 RXRB (0.42) NPC1RAB9A
SCHEMBL215440 0.75 RXRB (0.42) NPC1RAB9A

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 MRGPRX4 1008/4885KEAP1 2205/4885NFE2L2 4386/4885

“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.

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