SCHEMBL15601880

SCHEMBL15601880

CCc1cccc(C(=O)N(CC(=O)O)CC(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.52
▸ KMT2A Q03164 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ HPGD P15428 3/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ NPC1 O15118 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ BCL2 P10415 1/20 0.46
▸ GYS1 P13807 1/20 0.46
▸ KAT6A Q92794 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.42
▸ CYP4F2 P78329 1/20 0.42
▸ CYP4A11 Q02928 1/20 0.42
▸ SMYD3 Q9H7B4 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ SLC7A5 Q01650 1/20 0.41

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
SCHEMBL15108901 0.86 KMT2A (0.58) PPARGKMT2AL3MBTL1HPGDSMN1; SMN2
SCHEMBL8828473 0.85 HPGD (0.67) PPARGKMT2AL3MBTL1HPGDTDP1
SCHEMBL15592540 0.83 FOLH1 (0.46) PPARGKMT2AL3MBTL1HPGDTDP1
SCHEMBL13818522 0.82 TP53 (0.51) PPARGKMT2AL3MBTL1HPGDTDP1
SCHEMBL15601943 0.82 CYP4F2 (0.51) PPARGKMT2AL3MBTL1HPGDTDP1
SCHEMBL322040 0.80 KMT2A (0.53) PPARGKMT2AL3MBTL1HPGDTDP1
SCHEMBL19634732 0.78 LOXL2 (0.56) PPARGKMT2AL3MBTL1NPC1LMNA
SCHEMBL13818595 0.77 HPGD (0.70) PPARGHPGDTDP1NPC1LMNA
SCHEMBL30394310 0.77 BCL2 (0.66) RAB9ASMN1; SMN2BCL2ALDH1A1
SCHEMBL46935 0.77 BCL2 (0.66) RAB9ASMN1; SMN2BCL2ALDH1A1

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 PPARG 648/4885KMT2A 2045/4885L3MBTL1 2559/4885

“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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