SCHEMBL22480425

SCHEMBL22480425

Cc1noc(-c2ccc(O[C@@H]3CCC[C@@H](C(=O)O)C3)cc2)c1CNC(=O)OCc1ccc(F)cc1

nearest known ligand 0.86

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 6/20 0.86
SLCO1B1 Q9Y6L6 4/20 0.61
FFAR4 Q5NUL3 2/20 0.36
SLC6A9 P48067 1/20 0.36
POLB P06746 1/20 0.35
NAAA Q02083 1/20 0.35

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
SCHEMBL22480279 0.93 LPAR1 (0.87) LPAR1SLCO1B1SLC6A9
SCHEMBL22480360 0.92 LPAR1 (1.00) LPAR1SLCO1B1FFAR4SLC6A9
SCHEMBL22480277 0.91 LPAR1 (0.82) LPAR1SLCO1B1SLC6A9
SCHEMBL22467573 0.90 LPAR1 (1.00) LPAR1SLCO1B1FFAR4
SCHEMBL22480291 0.88 LPAR1 (0.74) LPAR1SLCO1B1FFAR4SLC6A9POLB
SCHEMBL22480303 0.87 LPAR1 (0.84) LPAR1SLCO1B1SLC6A9
SCHEMBL22480374 0.86 LPAR1 (0.76) LPAR1SLCO1B1FFAR4SLC6A9
SCHEMBL22480362 0.86 LPAR1 (0.75) LPAR1SLCO1B1SLC6A9
SCHEMBL22480292 0.86 LPAR1 (0.75) LPAR1SLCO1B1SLC6A9
SCHEMBL22480300 0.86 LPAR1 (0.75) LPAR1SLCO1B1SLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200308157-A1 ISOXAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-10-01 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 (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-20200308157-A1 ISOXAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR1, LPAR2, LPAR5 LPAR1 1/4885SLCO1B1 1123/4885FFAR4 16/4885

“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.