SCHEMBL13464586

SCHEMBL13464586

COc1ncc(C(=O)NC2(C(=O)O)CCC(C)(C)CC2)cc1OCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 10/20 0.52
▸ SCN9A Q15858 2/20 0.41
▸ GPR132 Q9UNW8 3/20 0.41
▸ NOX1 Q9Y5S8 1/20 0.41
▸ CSNK2A2 P19784 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40
▸ CYP11B1 P15538 2/20 0.39
▸ CYP11B2 P19099 2/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39

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
SCHEMBL6845295 0.91 LPAR1 (0.62) LPAR1SCN9AGPR132NOX1CSNK2A2
SCHEMBL13464509 0.91 LPAR1 (0.65) LPAR1GPR132HDAC1
SCHEMBL1808339 0.89 LPAR1 (0.58) LPAR1SCN9AGPR132NOX1CSNK2A2
SCHEMBL1808335 0.89 LPAR1 (0.58) LPAR1SCN9AGPR132NOX1CSNK2A2
SCHEMBL1808336 0.89 LPAR1 (0.58) LPAR1SCN9AGPR132NOX1CSNK2A2
SCHEMBL1810479 0.87 LPAR1 (0.51) LPAR1SCN9AGPR132NOX1CSNK2A2
SCHEMBL1810483 0.87 LPAR1 (0.51) LPAR1SCN9AGPR132NOX1CSNK2A2
SCHEMBL1810481 0.87 LPAR1 (0.51) LPAR1SCN9AGPR132NOX1CSNK2A2
SCHEMBL13464633 0.85 LPAR1 (0.69) LPAR1NOX1HDAC1
SCHEMBL6845296 0.84 LPAR1 (0.62) LPAR1GPR132

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-20120264790-A1 ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2012-10-18 — — 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-20120264790-A1 ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS LPAR2, LIPG, EDF1 LPAR1 4/4885SCN9A 3363/4885GPR132 518/4885

“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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