SCHEMBL21107828

SCHEMBL21107828

Cc1nc(-c2onc(C)c2COC2CCCCO2)ccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 1/20 0.31
▸ SLCO1B1 Q9Y6L6 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ LPAR1 Q92633 1/20 0.30

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
SCHEMBL29869865 0.81 SLCO1B1 (0.35) KDM4CSLCO1B1NPC1RAB9ALPAR1
SCHEMBL21107344 0.81 SLCO1B1 (0.35) KDM4CSLCO1B1NPC1RAB9ALPAR1
SCHEMBL29868781 0.81 KDM4C (0.34) KDM4CSLCO1B1NPC1RAB9ALPAR1
SCHEMBL21107114 0.81 KDM4C (0.34) KDM4CSLCO1B1NPC1RAB9ALPAR1
SCHEMBL27157474 0.78 ABCC3 (0.34) SLCO1B1LPAR1
SCHEMBL21807773 0.77 LPAR1 (0.37) KDM4CSLCO1B1NPC1RAB9ALPAR1
SCHEMBL25237116 0.76 SLCO1B1 (0.55) SLCO1B1LPAR1
SCHEMBL31614992 0.76 L3MBTL1 (0.34) KDM4CNPC1RAB9A
SCHEMBL29634339 0.76 SLCO1B1 (0.37) KDM4CSLCO1B1NPC1RAB9ALPAR1
SCHEMBL22467484 0.76 SLCO1B1 (0.37) KDM4CSLCO1B1NPC1RAB9ALPAR1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3728209-B1 CYCLOHEXYL ACID ISOXAZOLE AZINES AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2025-12-24 — — EP disclosed
US-12209072-B2 Cyclopentyl acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2025-01-28 — — US disclosed
EP-3728242-B1 CYCLOHEXYL ACID ISOXAZOLE AZOLES AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2023-03-01 — — EP disclosed
EP-3728242-B1 CYCLOHEXYL ACID ISOXAZOLE AZOLES AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2023-03-01 — — EP disclosed
EP-3728240-B1 ISOXAZOLE O-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2022-06-29 — — EP disclosed
EP-3728240-B1 ISOXAZOLE O-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2022-06-29 — — EP disclosed
US-11319309-B2 Cyclohexyl acid isoxazole azines as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2022-05-03 — — US disclosed
US-11319309-B2 Cyclohexyl acid isoxazole azines as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2022-05-03 — — US disclosed
US-11261180-B2 Cyclohexyl acid isoxazole azoles as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2022-03-01 — — US disclosed
US-11180488-B2 Isoxazole o-linked carbamoyl cyclohexyl acids as LPA antagonists BRISTOL MYERS SQUIBB CO (US) 2021-11-23 — — US disclosed
EP-3728209-A1 CYCLOHEXYL ACID ISOXAZOLE AZINES AS LPA ANTAGONISTS Bristol-Myers Squibb Company (US) 2020-10-28 — — EP disclosed
US-20200317662-A1 CYCLOHEXYL ACID ISOXAZOLE AZOLES AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-10-08 — — US disclosed
US-20200317662-A1 CYCLOHEXYL ACID ISOXAZOLE AZOLES AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-10-08 — — US disclosed
US-20200317656-A1 CYCLOHEXYL ACID ISOXAZOLE AZINES AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-10-08 — — US disclosed
US-20200317656-A1 CYCLOHEXYL ACID ISOXAZOLE AZINES AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-10-08 — — US disclosed
US-20200317655-A1 ISOXAZOLE O-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-10-08 — — US disclosed
US-20200317655-A1 ISOXAZOLE O-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-10-08 — — US disclosed
CN-111479807-A Cyclohexyl acid isoxazoles azines as L PA antagonists 百时美施贵宝公司 2020-07-31 — — CN disclosed
WO-2020060915-A1 CYCLOPENTYL ACIDS AS LPA ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-03-26 — — WO disclosed
WO-2019126084-A1 ISOXAZOLE O-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-06-27 — — 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 (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-11261180-B2 Cyclohexyl acid isoxazole azoles as LPA antagonists LPAR1, LPAR2, LPAR3 KDM4C 3852/4885SLCO1B1 724/4885NPC1 635/4885
US-11319309-B2 Cyclohexyl acid isoxazole azines as LPA antagonists LPAR1, LPAR2, LPAR5 KDM4C 4092/4885SLCO1B1 1008/4885NPC1 452/4885
US-12209072-B2 Cyclopentyl acids as LPA antagonists LPAR1, LPAR5, LPAR2 KDM4C 4235/4885SLCO1B1 724/4885NPC1 302/4885
US-20200317662-A1 CYCLOHEXYL ACID ISOXAZOLE AZOLES AS LPA ANTAGONISTS LPAR1, LPAR2, LPAR3 KDM4C 3852/4885SLCO1B1 724/4885NPC1 635/4885
US-20200317655-A1 ISOXAZOLE O-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR3, LPAR4, LPAR6 KDM4C 2398/4885SLCO1B1 2785/4885NPC1 846/4885
US-11180488-B2 Isoxazole o-linked carbamoyl cyclohexyl acids as LPA antagonists LPAR3, LPAR6, LPAR4 KDM4C 2419/4885SLCO1B1 2732/4885NPC1 887/4885
US-20200317656-A1 CYCLOHEXYL ACID ISOXAZOLE AZINES AS LPA ANTAGONISTS LPAR1, LPAR2, LPAR5 KDM4C 4092/4885SLCO1B1 1008/4885NPC1 452/4885

“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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