SCHEMBL21807795

SCHEMBL21807795

[CH2]c1c(C)noc1-c1ccc(O[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.45
CA12 O43570 4/20 0.35
CA1 P00915 4/20 0.35
CA9 Q16790 4/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MLYCD O95822 1/20 0.32
PTGS2 P35354 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
KDM4E B2RXH2 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
ALOX5AP P20292 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
SCHEMBL21107473 0.79 PREP (0.42) PREPCA12CA1CA9MEN1
SCHEMBL22496040 0.79 PREP (0.45) PREPCA12CA1CA9MEN1
SCHEMBL22496064 0.78 PREP (0.41) PREPCA12CA1CA9MEN1
SCHEMBL25406124 0.76 MEN1 (0.39) MEN1KMT2ANPSR1MLYCDALDH1A1
SCHEMBL23491348 0.75 PREP (0.57) PREPCA12CA1CA9KMT2A
SCHEMBL28510923 0.74 PREP (0.44) PREPCA12CA1CA9MEN1
SCHEMBL21807800 0.73
SCHEMBL6763899 0.73 PREP (0.53) PREPCA12CA1CA9ALDH1A1
SCHEMBL20364924 0.72 PREP (0.55) PREPCA12CA1CA9MEN1
SCHEMBL3751069 0.72 BRD4 (0.55) MEN1KMT2ANPSR1PTGS2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3728240-B1 ISOXAZOLE O-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2022-06-29 EP disclosed
EP-3986552-A1 ISOXAZOLE CARBOXYLIC ACIDS AS LPA ANTAGONISTS Bristol-Myers Squibb Company (US) 2022-04-27 EP disclosed
EP-3986553-A1 CYCLOBUTYL CARBOXYLIC ACIDS AS LPA ANTAGONISTS Bristol-Myers Squibb Company (US) 2022-04-27 EP disclosed
US-11180488-B2 Isoxazole o-linked carbamoyl cyclohexyl acids as LPA antagonists BRISTOL MYERS SQUIBB CO (US) 2021-11-23 US disclosed
EP-3852746-A1 CYCLOPENTYL ACIDS AS LPA ANTAGONISTS Bristol-Myers Squibb Company (US) 2021-07-28 EP disclosed
WO-2020257139-A1 CYCLOBUTYL CARBOXYLIC ACIDS AS LPA ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-24 WO disclosed
WO-2020257138-A1 ISOXAZOLE CARBOXYLIC ACIDS AS LPA ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-24 WO 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
WO-2020060915-A1 CYCLOPENTYL ACIDS AS LPA ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-03-26 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-20200317655-A1 ISOXAZOLE O-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR3, LPAR4, LPAR6 PREP 2899/4885CA12 1468/4885CA1 773/4885
US-11180488-B2 Isoxazole o-linked carbamoyl cyclohexyl acids as LPA antagonists LPAR3, LPAR6, LPAR4 PREP 2830/4885CA12 1443/4885CA1 788/4885

“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.