SCHEMBL15601900

SCHEMBL15601900

CCc1c(F)cc(C(=O)NCCS(=O)(=O)O)cc1F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 1/20 0.42
▸ MRGPRX4 Q96LA9 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ EPHX2 P34913 1/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ TLR7 Q9NYK1 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36

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) GPBAR1MRGPRX4RAB9ATP53GAA
SCHEMBL15592423 0.85 GPBAR1 (0.40) GPBAR1MRGPRX4RAB9AEPHX2KMT2A
SCHEMBL15601896 0.82 MRGPRX4 (0.44) MRGPRX4EPHX2CA2
SCHEMBL23743887 0.81 NTRK2 (0.45) KMT2AMEN1TLR7KDM4EHDAC1
SCHEMBL19705941 0.80 GPBAR1 (0.43) GPBAR1MRGPRX4KMT2AMEN1TLR7
SCHEMBL15592412 0.79 MRGPRX4 (0.41) GPBAR1MRGPRX4KDM4ESMN1; SMN2
SCHEMBL15601898 0.79 SIRT5 (0.47) KDM4ECA2SMN1; SMN2
SCHEMBL8735854 0.76 KDM4E (0.52) MRGPRX4KDM4ECA2TP53GAA
SCHEMBL19705735 0.76 GPBAR1 (0.42) GPBAR1MRGPRX4TLR7KDM4EHDAC1
SCHEMBL15601804 0.76 MRGPRX4 (0.41) MRGPRX4EPHX2TLR7

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 GPBAR1 2/4885MRGPRX4 42/4885RAB9A 769/4885

“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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