SCHEMBL21972079

SCHEMBL21972079

CCCC(C)(C)N(C)C(=O)OCc1c(-c2ccc(O[C@H]3CCC=C(C(=O)OCC)C3)cc2)nnn1C

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLCO1B1 Q9Y6L6 5/20 0.49
▸ ABCB11 O95342 3/20 0.39
▸ ABCC3 O15438 2/20 0.38
▸ ABCC4 O15439 2/20 0.38
▸ SLCO1B3 Q9NPD5 2/20 0.38
▸ LPAR1 Q92633 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
SCHEMBL19728900 0.83 SLCO1B1 (0.64) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL19715666 0.81 SLCO1B1 (0.75) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL19715650 0.81 SLCO1B1 (0.75) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL22108601 0.75 SLCO1B1 (0.77) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL23852706 0.73 SLCO1B1 (0.61) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL22108502 0.72 SLCO1B1 (0.63) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL19715818 0.71 SLCO1B1 (0.76) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL30189411 0.71 SLCO1B1 (0.76) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL20561298 0.70 SLCO1B1 (0.63) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL20560989 0.70 SLCO1B1 (0.63) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3

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-11007180-B2 Carbamoyloxymethyl triazole cyclohexyl acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-18 — — US disclosed
US-20200138789-A1 CARBAMOYLOXYMETHYL TRIAZOLE CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-05-07 — — 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 (2 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-20200138789-A1 CARBAMOYLOXYMETHYL TRIAZOLE CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR3, LPAR1, LPAR2 SLCO1B1 1507/4885ABCB11 2022/4885ABCC3 1577/4885
US-11007180-B2 Carbamoyloxymethyl triazole cyclohexyl acids as LPA antagonists LPAR3, LPAR1, LPAR2 SLCO1B1 1507/4885ABCB11 2022/4885ABCC3 1577/4885

“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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