SCHEMBL15601896

SCHEMBL15601896

CCc1c(Cl)cc(C(=O)NCCS(=O)(=O)O)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA3 P07451 2/20 0.39
▸ CA4 P22748 2/20 0.39
▸ CA6 P23280 2/20 0.39
▸ CA5A P35218 2/20 0.39
▸ CA7 P43166 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA13 Q8N1Q1 2/20 0.39
▸ CA14 Q9ULX7 2/20 0.39
▸ CA5B Q9Y2D0 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ THRB P10828 1/20 0.39
▸ RECQL P46063 1/20 0.39

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
SCHEMBL15601855 0.91 MRGPRX4 (0.43) MRGPRX4HSD17B10HPGDPOLBHTT
SCHEMBL15592422 0.85 MRGPRX4 (0.44) MRGPRX4HSD17B10HPGDPOLBHTT
SCHEMBL15601811 0.83 HPGD (0.49) MRGPRX4HPGDPOLBHTTCA1
SCHEMBL15601900 0.82 GPBAR1 (0.42) MRGPRX4CA2EPHX2
SCHEMBL15601797 0.80 CA1 (0.49) MRGPRX4HPGDPOLBHTTCA1
SCHEMBL15592412 0.79 MRGPRX4 (0.41) MRGPRX4HSD17B10HPGDPOLBHTT
SCHEMBL15601897 0.79 FABP4 (0.53) HSD17B10HPGDPOLBHTTCA12
SCHEMBL15601804 0.76 MRGPRX4 (0.41) MRGPRX4HPGDDDR1EPHX2
SCHEMBL15601831 0.74 PLK1 (0.54) MRGPRX4POLBCA12CA1CA2
SCHEMBL8735854 0.73 KDM4E (0.52) MRGPRX4HSD17B10HPGDPOLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9062028-B2 Bicyclic nitrogen containing heteroaryl TGR5 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-23 — — US disclosed
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2014-03-20 — — 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 (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-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS GRK5, GPBAR1, GPR55 MRGPRX4 42/4885HSD17B10 2982/4885HPGD 2527/4885

“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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