SCHEMBL4331663

SCHEMBL4331663

CCOc1ccc(CC(OC(C)C)C(=O)O)cc1NC(=O)C(C)Oc1ccc(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 2/20 0.49
ALDH1A1 P00352 3/20 0.48
GAA P10253 2/20 0.48
KDM4E B2RXH2 2/20 0.48
PPARA Q07869 1/20 0.47
MAPT P10636 4/20 0.47
TP53 P04637 2/20 0.47
LMNA P02545 4/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
PKM P14618 1/20 0.46
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 2/20 0.45
TRPM4 Q8TD43 1/20 0.43
HEXD Q8WVB3 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
SCHEMBL4343560 0.91 MAPT (0.57) SMN1; SMN2HTTALDH1A1GAAKDM4E
SCHEMBL4335361 0.90 PPARA (0.47) SMN1; SMN2HTTALDH1A1GAAKDM4E
SCHEMBL4329366 0.86 SMN1; SMN2 (0.53) SMN1; SMN2HTTPPARAMAPTTP53
SCHEMBL4339264 0.82 PKM (0.63) SMN1; SMN2HTTALDH1A1GAAKDM4E
SCHEMBL4335087 0.82 KMT2A (0.41) SMN1; SMN2HTTALDH1A1GAAKDM4E
SCHEMBL4339104 0.81 PPARA (0.45) SMN1; SMN2ALDH1A1PPARAMAPTTP53
SCHEMBL4329430 0.81 PPARA (0.40) SMN1; SMN2HTTALDH1A1GAAKDM4E
SCHEMBL4336608 0.80 PPARG (0.42) SMN1; SMN2ALDH1A1GAAPPARAMAPT
SCHEMBL4337069 0.80 PPARG (0.46) SMN1; SMN2ALDH1A1GAAPPARAMAPT
SCHEMBL4337947 0.79 PPARA (0.42) SMN1; SMN2ALDH1A1GAAKDM4EPPARA

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 SMN1; SMN2 3054/4885HTT 3749/4885ALDH1A1 844/4885

“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.