SCHEMBL15601812

SCHEMBL15601812

CCc1c(F)cc(C(=O)NCCC[C@H](NC(=N)N)C(=O)O)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 17/20 0.42
▸ CTDSP1 Q9GZU7 1/20 0.35

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
SCHEMBL15601803 0.74 FABP4 (0.47) —
SCHEMBL15601822 0.72 SCN9A (0.42) —
SCHEMBL15601846 0.72 CA1 (0.43) —
SCHEMBL15601855 0.70 MRGPRX4 (0.43) —
SCHEMBL29005731 0.69 C3AR1 (0.43) FOLH1CTDSP1
SCHEMBL12971304 0.69 C3AR1 (0.43) FOLH1CTDSP1
SCHEMBL16144992 0.69 KDM4E (0.42) FOLH1
SCHEMBL16144999 0.69 KDM4E (0.42) FOLH1
SCHEMBL15601804 0.67 MRGPRX4 (0.41) —
SCHEMBL12971348 0.67 FOLH1 (0.62) FOLH1

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 FOLH1 2667/4885CTDSP1 3167/4885

“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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