SCHEMBL23697160

SCHEMBL23697160

CC(C)OC(=O)[C@H]1CCC[C@H](Oc2cnc(-c3nnn(C)c3CBr)cn2)C1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLCO1B1 Q9Y6L6 5/20 0.44
▸ ABCB11 O95342 3/20 0.44
▸ ABCC3 O15438 2/20 0.38
▸ ABCC4 O15439 2/20 0.38
▸ SLCO1B3 Q9NPD5 2/20 0.38
▸ LPAR1 Q92633 2/20 0.38
▸ GPR119 Q8TDV5 1/20 0.33

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
SCHEMBL29448531 1.00 SLCO1B1 (0.44) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL29448518 0.92 SLCO1B1 (0.45) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL23697665 0.92 SLCO1B1 (0.45) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL29448508 0.91 SLCO1B1 (0.44) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL23697624 0.91 SLCO1B1 (0.44) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL23671225 0.88 SLCO1B1 (0.55) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL29448507 0.87 SLCO1B1 (0.41) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL23697693 0.87 SLCO1B1 (0.41) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL23697214 0.84 SLCO1B1 (0.44) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL29448505 0.84 SLCO1B1 (0.44) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112055711-B Cyclohexylic acid triazolazine as LPA antagonist 百时美施贵宝公司 2024-07-23 — — CN disclosed
US-20210230143-A1 CYCLOHEXYL ACID TRIAZOLE AZINES AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-07-29 — — US disclosed
CN-112055711-A Cyclohexyl acid triazole azines as LPA antagonists 百时美施贵宝公司 2020-12-08 — — CN 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-20210230143-A1 CYCLOHEXYL ACID TRIAZOLE AZINES AS LPA ANTAGONISTS LPAR3, LPAR1, LPAR2 SLCO1B1 1638/4885ABCB11 1865/4885ABCC3 2287/4885

“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.

Send feedback