SCHEMBL7017776

SCHEMBL7017776

CCC(c1ccc(C(=O)OC)cc1)n1c(=O)[nH]c2ccc(C(=O)NCc3ccc(OC(F)(F)F)cc3)cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.47
EPHX2 P34913 3/20 0.47
PPARG P37231 3/20 0.47
ALDH1A1 P00352 5/20 0.46
HPGD P15428 5/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 4/20 0.45
NR1H4 Q96RI1 1/20 0.45
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
TRPV1 Q8NER1 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP3A4 P08684 1/20 0.43
PPARD Q03181 2/20 0.43
B3GNT2 Q9NY97 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
SCHEMBL7621399 0.92 MAPT (0.53) PPARGALDH1A1CYP2C9SMN1; SMN2KDM4E
SCHEMBL7653596 0.90 TRPV1 (0.47) PPARAEPHX2PPARGALDH1A1HPGD
SCHEMBL6235040 0.85 MEN1 (0.54) PPARGALDH1A1SMN1; SMN2KDM4ENR1H4
SCHEMBL6218995 0.82 MEN1 (0.54) ALDH1A1CYP2C9SMN1; SMN2KDM4EMAPT
SCHEMBL6231298 0.81 RXFP1 (0.50) ALDH1A1SMN1; SMN2KDM4EMAPTGAA
SCHEMBL7021536 0.77 B3GNT2 (0.45) EPHX2ALDH1A1SMN1; SMN2KDM4ENR1H4
SCHEMBL6433406 0.77 MEN1 (0.50) ALDH1A1CYP2C9SMN1; SMN2KDM4EMAPT
SCHEMBL6233923 0.77 NAMPT (0.46) ALDH1A1HPGDSMN1; SMN2KDM4EMAPT
SCHEMBL6234083 0.76 MEN1 (0.53) ALDH1A1SMN1; SMN2KDM4EMAPTGAA
SCHEMBL7624469 0.75 MEN1 (0.50) ALDH1A1CYP2C9SMN1; SMN2KDM4EMAPT

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
EP-1368324-A1 QUINAZOLINES AS MMP-13 INHIBITORS Warner-Lambert Company LLC (US) 2003-12-10 EP claimed
US-20020193377-A1 Quinazolines as MMP-13 inhibitors ANDRIANJARA CHARLES (FR) 2002-12-19 US claimed
WO-2002064572-A1 QUINAZOLINES AS MMP-13 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed

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-20020193377-A1 Quinazolines as MMP-13 inhibitors MMP13, MMP9, MMP3 PPARA 3442/4885EPHX2 1678/4885PPARG 3301/4885

“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.