SCHEMBL15601891

SCHEMBL15601891

CCc1cccc(C(=O)N(C)[C@@H](CC(=O)O)C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ FOLH1 Q04609 1/20 0.45
▸ SLC7A5 Q01650 3/20 0.42
▸ PPARG P37231 1/20 0.41
▸ BCL2 P10415 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KAT6A Q92794 1/20 0.40
▸ MAPK14 Q16539 1/20 0.39
▸ HSD17B1 P14061 2/20 0.39
▸ HSD17B2 P37059 2/20 0.39
▸ MME P08473 1/20 0.37
▸ MEP1B Q16820 2/20 0.37

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
SCHEMBL15601913 0.87 SLC7A5 (0.44) KMT2AMEN1FOLH1SLC7A5PPARG
SCHEMBL15592547 0.87 FOLH1 (0.49) KMT2AMEN1FOLH1SLC7A5PPARG
SCHEMBL1692133 0.80 KMT2A (0.47) KMT2AMEN1SLC7A5PPARGBCL2
SCHEMBL15108901 0.79 KMT2A (0.58) KMT2AMEN1PPARGBCL2L3MBTL1
SCHEMBL14117419 0.76 KMT2A (0.58) KMT2AMEN1PPARGBCL2L3MBTL1
SCHEMBL322040 0.76 KMT2A (0.53) KMT2AMEN1SLC7A5PPARGBCL2
SCHEMBL15676710 0.76 KMT2A (0.82) KMT2AMEN1L3MBTL1HSD17B1HSD17B2
SCHEMBL15592546 0.75 SLC7A5 (0.45) KMT2AMEN1FOLH1SLC7A5PPARG
SCHEMBL16301365 0.74 KMT2A (0.53) KMT2AMEN1BCL2PTGS2L3MBTL1
SCHEMBL15601880 0.74 PPARG (0.52) KMT2AMEN1SLC7A5PPARGBCL2

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 KMT2A 2045/4885MEN1 3428/4885FOLH1 2667/4885

“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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