SCHEMBL21058149

SCHEMBL21058149

CC(C)C1(Oc2ccc(-c3nnn(C)c3CBr)cc2)CCCC(C(=O)O)(C(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 8/20 0.39
▸ SLCO1B1 Q9Y6L6 1/20 0.34
▸ LPAR3 Q9UBY5 6/20 0.34

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
SCHEMBL21058169 0.92 LPAR1 (0.38) LPAR1SLCO1B1LPAR3
SCHEMBL21057916 0.91 LPAR1 (0.37) LPAR1SLCO1B1LPAR3
SCHEMBL21057994 0.86 LPAR1 (0.34) LPAR1SLCO1B1LPAR3
SCHEMBL21058022 0.82 SLCO1B1 (0.37) LPAR1SLCO1B1
SCHEMBL21058150 0.82 SLCO1B1 (0.44) LPAR1SLCO1B1LPAR3
SCHEMBL21058171 0.73 SLCO1B1 (0.44) LPAR1SLCO1B1LPAR3
SCHEMBL21057918 0.73 SLCO1B1 (0.44) LPAR1SLCO1B1LPAR3
SCHEMBL21057997 0.69 SLCO1B1 (0.41) LPAR1SLCO1B1
SCHEMBL28500912 0.64 SLCO1B1 (0.56) LPAR1SLCO1B1LPAR3
SCHEMBL21834402 0.62 CCNC (0.46) LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339884-A1 Triazole N-Linked Carbamoyl Cyclohexyl Acids as LPA Antagonists BRISTOL MYERS SQUIBB CO (US) 2023-10-26 — — US disclosed
US-11697646-B2 Triazole N-linked carbamoyl cyclohexyl acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2023-07-11 — — US disclosed
EP-3728223-B1 CYCLOHEXYL ACID TRIAZOLE AZINES AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2022-12-28 — — EP disclosed
EP-4011875-A1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS Bristol-Myers Squibb Company (US) 2022-06-15 — — EP disclosed
EP-3710438-B1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-10-20 — — EP disclosed
US-20210230143-A1 CYCLOHEXYL ACID TRIAZOLE AZINES AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-07-29 — — US disclosed
US-11008300-B2 Triazole n-linked carbamoyl cyclohexyl acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-18 — — US disclosed
EP-3710438-A1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS Bristol-Myers Squibb Company (US) 2020-09-23 — — EP disclosed
US-10662172-B2 Triazole N-linked carbamoyl cyclohexyl acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2020-05-26 — — US disclosed
US-20200148665-A1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-05-14 — — US disclosed
US-20190185446-A1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2019-06-20 — — 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 (7 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 LPAR1 2/4885SLCO1B1 1638/4885LPAR3 1/4885
US-20190185446-A1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR3, LPAR1, LPAR2 LPAR1 2/4885SLCO1B1 1395/4885LPAR3 1/4885
US-10662172-B2 Triazole N-linked carbamoyl cyclohexyl acids as LPA antagonists LPAR3, LPAR1, LPAR2 LPAR1 2/4885SLCO1B1 1395/4885LPAR3 1/4885
US-20200148665-A1 TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR3, LPAR1, LPAR2 LPAR1 2/4885SLCO1B1 1395/4885LPAR3 1/4885
US-11697646-B2 Triazole N-linked carbamoyl cyclohexyl acids as LPA antagonists LPAR3, LPAR1, LPAR2 LPAR1 2/4885SLCO1B1 1395/4885LPAR3 1/4885
US-20230339884-A1 Triazole N-Linked Carbamoyl Cyclohexyl Acids as LPA Antagonists LPAR3, LPAR1, LPAR2 LPAR1 2/4885SLCO1B1 1395/4885LPAR3 1/4885
US-11008300-B2 Triazole n-linked carbamoyl cyclohexyl acids as LPA antagonists LPAR3, LPAR1, LPAR2 LPAR1 2/4885SLCO1B1 1395/4885LPAR3 1/4885

“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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