SCHEMBL3418693

SCHEMBL3418693

C/C(=N\OCc1cccc(Cl)c1)c1ccc(-c2cccc(CC(=O)O)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
PPARG P37231 5/20 0.53
PPARA Q07869 4/20 0.53
S1PR1 P21453 9/20 0.51
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
SHMT1 P34896 1/20 0.42
SHMT2 P34897 1/20 0.42
BCL2 P10415 1/20 0.42

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
SCHEMBL3418694 1.00 NPC1 (0.61) NPC1RAB9APPARGPPARAS1PR1
SCHEMBL3414272 0.92 NPC1 (0.64) NPC1RAB9APPARGPPARAS1PR1
SCHEMBL3414279 0.92 NPC1 (0.64) NPC1RAB9APPARGPPARAS1PR1
SCHEMBL3410496 0.90 NPC1 (0.55) NPC1RAB9APPARGPPARAS1PR1
SCHEMBL3410501 0.90 NPC1 (0.55) NPC1RAB9APPARGPPARAS1PR1
SCHEMBL3418738 0.90 S1PR1 (0.62) NPC1RAB9APPARGPPARAS1PR1
SCHEMBL3418743 0.90 S1PR1 (0.62) NPC1RAB9APPARGPPARAS1PR1
SCHEMBL3416329 0.89 NPC1 (0.53) NPC1RAB9APPARGPPARAS1PR1
SCHEMBL3416326 0.89 NPC1 (0.53) NPC1RAB9APPARGPPARAS1PR1
SCHEMBL3415203 0.86 S1PR1 (0.53) NPC1RAB9APPARGPPARAS1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 US disclosed
US-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 US disclosed
US-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 US disclosed
US-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-10-28 US disclosed
EP-1394147-A1 CARBOXYLIC ACID DERIVATIVE AND MEDICINE COMPRISING SALT OR ESTER OF THE SAME Eisai Co., Ltd. (JP) 2004-03-03 EP 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-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same GPR119, NR3C1, INSR NPC1 424/4885RAB9A 3699/4885PPARG 238/4885

“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.