SCHEMBL15601810

SCHEMBL15601810

CCc1c(F)cc(C(=O)O)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.47
▸ PLAU P00749 1/20 0.44
▸ TSHR P16473 1/20 0.41
▸ TPMT P51580 3/20 0.41
▸ DAO P14920 1/20 0.41
▸ HTT P42858 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ ACLY P53396 2/20 0.39
▸ LMNA P02545 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ SRD5A2 P31213 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ KDM4E B2RXH2 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
SCHEMBL4129553 0.87 LMNA (0.44) TTRTPMTDAOHTTLMNA
SCHEMBL4117840 0.87 TTR (0.56) TTRPLAUTSHRTPMTDAO
SCHEMBL19116220 0.84 TTR (0.48) TTRPLAUTSHRTPMTHTT
SCHEMBL15592243 0.81 TTR (0.43) TTRPLAUTSHRTPMTHTT
SCHEMBL27820294 0.80 LMNA (0.52) TPMTHTTPOLBLMNAMAPK1
SCHEMBL15601846 0.80 CA1 (0.43) POLBMAPK1RAB9AALDH1A1TDP1
SCHEMBL27792335 0.79 KDM4E (0.42) TTRTPMTDAOHTTLMNA
SCHEMBL10228048 0.78 ESR1 (0.36) POLBACLYCA12CA1CA2
SCHEMBL15601803 0.78 FABP4 (0.47) HTTPOLBACLYMAPK1ALDH1A1
SCHEMBL14037669 0.76 RARB (0.43) TTRTPMTHTTLMNAMAPK1

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 TTR 1282/4885PLAU 2652/4885TSHR 36/4885

“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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