SCHEMBL4335082

SCHEMBL4335082

O=C(Nc1ccc(F)cc1F)OCc1cccc(CC(C(=O)O)C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.51
NPC1 O15118 3/20 0.51
POLB P06746 1/20 0.48
CASP3 P42574 1/20 0.48
MGLL Q99685 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MGAT2 Q10469 1/20 0.45
PPIA P62937 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 2/20 0.42
GAA P10253 2/20 0.42
ULK1 O75385 1/20 0.42
KDM4E B2RXH2 1/20 0.41
STAT1 P42224 1/20 0.41
F9 P00740 1/20 0.41
F10 P00742 1/20 0.41

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
SCHEMBL13810354 0.91 RAB9A (0.55) RAB9ANPC1POLBCASP3MGLL
SCHEMBL4331674 0.89 RAB9A (0.49) RAB9ANPC1POLBCASP3MGLL
SCHEMBL285633 0.85 RAB9A (0.60) RAB9ANPC1POLBCASP3MGLL
SCHEMBL4329942 0.81 MEN1 (0.48) RAB9ANPC1POLBSMN1; SMN2ALDH1A1
SCHEMBL13810380 0.80 RAB9A (0.45) RAB9ANPC1POLBSMN1; SMN2HTT
SCHEMBL4341692 0.79 OPRK1 (0.53) RAB9ANPC1CASP3MGLLSMN1; SMN2
SCHEMBL4341241 0.79 KDM4E (0.44) POLBPPIAMEN1KMT2AKDM4E
SCHEMBL4341257 0.79 MGLL (0.60) RAB9ANPC1POLBMGLLSMN1; SMN2
SCHEMBL4329901 0.79 MEN1 (0.52) RAB9ANPC1CASP3MGLLSMN1; SMN2
SCHEMBL4334583 0.76 PPARG (0.43) RAB9ANPC1POLBCASP3SMN1; SMN2

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 3 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-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 RAB9A 2956/4885NPC1 603/4885POLB 3622/4885

“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.