SCHEMBL4339978

SCHEMBL4339978

CC(C)OC(Cc1cc(NC(=O)OCc2ccc(Cl)cc2F)ccc1F)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 4/20 0.39
CYP2C19 P33261 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
MAPT P10636 2/20 0.38
PPARG P37231 4/20 0.38
PPARA Q07869 4/20 0.38
HTT P42858 4/20 0.37
CYP2C9 P11712 2/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
GALR3 O60755 1/20 0.36
GAA P10253 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 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
SCHEMBL4333132 0.93 GAA (0.44) ALDH1A1CYP1A2CYP2C19SMN1; SMN2KMT2A
SCHEMBL4333160 0.92 SMN1; SMN2 (0.41) ALDH1A1CYP1A2CYP2C19SMN1; SMN2KMT2A
SCHEMBL4341908 0.90 PPARG (0.47) ALDH1A1CYP1A2CYP2C19SMN1; SMN2KMT2A
SCHEMBL4337986 0.89 SCD (0.42) SMN1; SMN2KMT2AMEN1PPARGPPARA
SCHEMBL4343564 0.88 MGLL (0.39) ALDH1A1SMN1; SMN2KMT2AMEN1PPARG
SCHEMBL4339006 0.88 PPARG (0.46) ALDH1A1CYP1A2CYP2C19SMN1; SMN2KMT2A
SCHEMBL4337063 0.85 PTGDR2 (0.44) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL4346300 0.84 FAAH (0.37) ALDH1A1CYP1A2CYP2C19SMN1; SMN2KMT2A
SCHEMBL4341998 0.83 CYP1A2 (0.43) ALDH1A1CYP1A2CYP2C19SMN1; SMN2KMT2A
SCHEMBL4341546 0.83 KMT2A (0.41) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT

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 ALDH1A1 844/4885CYP1A2 1508/4885CYP2C19 2209/4885

“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.