SCHEMBL22496064

SCHEMBL22496064

Cc1noc(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2)c1C(C)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.41
TRPV1 Q8NER1 1/20 0.34
CA12 O43570 4/20 0.32
CA1 P00915 4/20 0.32
CA9 Q16790 4/20 0.32
LPAR1 Q92633 3/20 0.32
LPAR3 Q9UBY5 1/20 0.32
BRD4 O60885 2/20 0.32
BRD2 P25440 2/20 0.32
CREBBP Q92793 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ABCC3 O15438 1/20 0.30
ABCC4 O15439 1/20 0.30
ABCB11 O95342 1/20 0.30
CYP2C8 P10632 1/20 0.30
CYP2C9 P11712 1/20 0.30
ABCB4 P21439 1/20 0.30
ABCC2 Q92887 1/20 0.30
SLCO1B3 Q9NPD5 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
SCHEMBL18597743 0.79 ALDH1A1 (0.38) TRPV1LPAR1LPAR3BRD4BRD2
SCHEMBL21807795 0.78 PREP (0.45) PREPCA12CA1CA9MEN1
SCHEMBL21107473 0.77 PREP (0.42) PREPTRPV1CA12CA1CA9
SCHEMBL21107104 0.76 PREP (0.35) PREPTRPV1
SCHEMBL4677465 0.75 ALDH1A1 (0.47) LPAR1LPAR3BRD4BRD2CREBBP
SCHEMBL28510923 0.75 PREP (0.44) PREPCA12CA1CA9LPAR1
SCHEMBL22496040 0.75 PREP (0.45) PREPCA12CA1CA9BRD4
SCHEMBL21405244 0.72 PREP (0.42) PREPCA12CA1CA9CYP2C9
SCHEMBL23491348 0.71 PREP (0.57) PREPCA12CA1CA9KMT2A
SCHEMBL6763899 0.69 PREP (0.53) PREPCA12CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112041316-B Isoxazole O-linked carbamoyl cyclohexyl acids as LPA antagonists 百时美施贵宝公司 2024-11-22 CN 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-11180488-B2 Isoxazole o-linked carbamoyl cyclohexyl acids as LPA antagonists BRISTOL MYERS SQUIBB CO (US) 2021-11-23 US disclosed
US-11180488-B2 Isoxazole o-linked carbamoyl cyclohexyl acids as LPA antagonists BRISTOL MYERS SQUIBB CO (US) 2021-11-23 US disclosed
CN-112041316-A Isoxazole O-linked carbamoylcyclohexanoic acids as LPA antagonists 百时美施贵宝公司 2020-12-04 CN disclosed
EP-3728240-A1 ISOXAZOLE O-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS Bristol-Myers Squibb Company (US) 2020-10-28 EP 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

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-20200317655-A1 ISOXAZOLE O-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR3, LPAR4, LPAR6 PREP 2899/4885TRPV1 2379/4885CA12 1468/4885
US-11180488-B2 Isoxazole o-linked carbamoyl cyclohexyl acids as LPA antagonists LPAR3, LPAR6, LPAR4 PREP 2830/4885TRPV1 2195/4885CA12 1443/4885

“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.