SCHEMBL13464633

SCHEMBL13464633

COc1ccc(C(=O)NC2(C(=O)O)CCC(C)(C)CC2)cc1OCCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 7/20 0.69
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ SMPD1 P17405 2/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ PDE4A P27815 4/20 0.47
▸ PDE4B Q07343 4/20 0.47
▸ PDE4C Q08493 4/20 0.47
▸ PDE4D Q08499 4/20 0.47
▸ NOX1 Q9Y5S8 1/20 0.47
▸ SIGMAR1 Q99720 2/20 0.46
▸ MAPT P10636 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.43

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
SCHEMBL1812068 0.88 LPAR1 (0.76) LPAR1NPC1RAB9ASMPD1HDAC1
SCHEMBL1812065 0.88 LPAR1 (0.76) LPAR1NPC1RAB9ASMPD1HDAC1
SCHEMBL1812069 0.88 LPAR1 (0.76) LPAR1NPC1RAB9ASMPD1HDAC1
SCHEMBL24287480 0.87 LPAR1 (0.66) LPAR1NPC1RAB9ASMPD1HDAC1
SCHEMBL13464586 0.85 LPAR1 (0.52) LPAR1HDAC1NOX1
SCHEMBL13464470 0.85 LPAR1 (0.67) LPAR1NPC1RAB9ASMPD1HDAC1
SCHEMBL1811643 0.85 LPAR1 (0.77) LPAR1NPC1RAB9ASMPD1HDAC1
SCHEMBL13464505 0.84 LPAR1 (0.75) LPAR1HDAC1NOX1
SCHEMBL1812714 0.83 LPAR1 (0.82) LPAR1NPC1RAB9ASMPD1HDAC1
SCHEMBL1810373 0.83 LPAR1 (0.82) LPAR1NPC1RAB9ASMPD1HDAC1

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 4/4885NPC1 2159/4885RAB9A 1514/4885

“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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