SCHEMBL4342736

SCHEMBL4342736

COc1ccc(NC(=O)OCc2cccc(OC(F)(F)F)c2)cc1CC(OC(C)C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNB1 Q14721 1/20 0.44
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
PPARG P37231 3/20 0.38
KMT2A Q03164 2/20 0.38
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38
MGLL Q99685 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
BRAF P15056 1/20 0.38
MCHR1 Q99705 1/20 0.37
CNR1 P21554 1/20 0.37
CTSD P07339 1/20 0.37
FPR2 P25090 2/20 0.36

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
SCHEMBL4340787 0.91 NPC1 (0.47) NPC1RAB9ASMN1; SMN2KMT2AMGLL
SCHEMBL4337108 0.91 PPARA (0.45) NPC1RAB9ASMN1; SMN2PPARGKMT2A
SCHEMBL4341732 0.90 NPC1 (0.42) KCNB1NPC1RAB9ASMN1; SMN2PPARG
SCHEMBL4332279 0.87 MGLL (0.44) NPC1RAB9APPARGPPARDPPARA
SCHEMBL4338949 0.84 PPARA (0.49) SMN1; SMN2PPARGKMT2APPARDPPARA
SCHEMBL4335887 0.83 SMN1; SMN2 (0.44) NPC1RAB9ASMN1; SMN2KMT2APPARA
SCHEMBL4342350 0.82 PPARA (0.44) SMN1; SMN2PPARGKMT2APPARDPPARA
SCHEMBL4341713 0.82 PPARA (0.44) SMN1; SMN2PPARGKMT2APPARDPPARA
SCHEMBL4343465 0.82 SMN1; SMN2 (0.45) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL13810706 0.82 SMN1; SMN2 (0.43) NPC1RAB9ASMN1; SMN2KMT2AMGLL

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-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 US disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 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-20040102634-A1 Carboxylic acid derivative and salt thereof GPR119, IRS1, SLC5A1 KCNB1 3083/4885NPC1 603/4885RAB9A 2956/4885

“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.