SCHEMBL22806839

SCHEMBL22806839

Cn1nnc(-c2ccc(O)cn2)c1COC1CCCCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLCO1B1 Q9Y6L6 4/20 0.41
▸ ABCB11 O95342 3/20 0.41
▸ KDM4C Q9H3R0 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CYP4F2 P78329 2/20 0.34
▸ CYP4A11 Q02928 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MIF P14174 1/20 0.33
▸ GABRA5 P31644 2/20 0.33
▸ TGFBR1 P36897 2/20 0.32
▸ ICAM1 P05362 1/20 0.31
▸ SELE P16581 1/20 0.31
▸ ABCC3 O15438 2/20 0.31
▸ ABCC4 O15439 2/20 0.31
▸ SLCO1B3 Q9NPD5 2/20 0.31
▸ LPAR1 Q92633 1/20 0.31
▸ TGFBR2 P37173 1/20 0.31

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
SCHEMBL29067845 0.89 ABCB11 (0.38) SLCO1B1ABCB11KDM4CNPC1RAB9A
SCHEMBL23671228 0.88 ABCB11 (0.35) SLCO1B1ABCB11KDM4CNPC1RAB9A
SCHEMBL21058017 0.85 GABRA5 (0.40) SLCO1B1KDM4CNPC1RAB9AMEN1
SCHEMBL30740368 0.84 TGFBR1 (0.44) SLCO1B1ABCB11KDM4CNPC1RAB9A
SCHEMBL19715757 0.84 SLCO1B1 (0.38) SLCO1B1ABCB11KDM4CNPC1RAB9A
SCHEMBL29411759 0.84 SLCO1B1 (0.38) SLCO1B1ABCB11KDM4CNPC1RAB9A
SCHEMBL19728935 0.83 ABCB11 (0.34) SLCO1B1ABCB11KDM4CNPC1RAB9A
SCHEMBL19715620 0.83 DGAT1 (0.38) SLCO1B1ABCB11KDM4CNPC1RAB9A
SCHEMBL19715607 0.83 SLCO1B1 (0.39) SLCO1B1ABCB11KDM4CNPC1RAB9A
SCHEMBL22463670 0.82 KDM4C (0.38) KDM4CNPC1RAB9ACYP4F2CYP4A11

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12435057-B2 Triazole carboxylic acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2025-10-07 — — US disclosed
US-20220235026-A1 TRIAZOLE CARBOXYLIC ACIDS AS LPA ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2022-07-28 — — US disclosed
CN-114599648-A Triazole carboxylic acids as LPA antagonists 百时美施贵宝公司 2022-06-07 — — CN disclosed
EP-3986551-A1 TRIAZOLE CARBOXYLIC ACIDS AS LPA ANTAGONISTS Bristol-Myers Squibb Company (US) 2022-04-27 — — EP disclosed
WO-2020257135-A1 TRIAZOLE CARBOXYLIC ACIDS AS LPA ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-24 — — WO disclosed
WO-2020257135-A1 TRIAZOLE CARBOXYLIC ACIDS AS LPA ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-24 — — WO 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-12435057-B2 Triazole carboxylic acids as LPA antagonists LPAR3, LPAR1, LPAR5 SLCO1B1 824/4885ABCB11 1167/4885KDM4C 4179/4885
US-20220235026-A1 TRIAZOLE CARBOXYLIC ACIDS AS LPA ANTAGONISTS LPAR3, LPAR1, LPAR5 SLCO1B1 824/4885ABCB11 1167/4885KDM4C 4179/4885

“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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