SCHEMBL4132624

SCHEMBL4132624

O=C(O)c1cc(Cl)c(C(=O)OC(Cc2ccccc2)c2ccccc2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.41
PPARG P37231 2/20 0.41
SMO Q99835 1/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
EPHX1 P07099 1/20 0.39
PTGER1 P34995 1/20 0.38
AADAT Q8N5Z0 1/20 0.38
ALDH1A1 P00352 4/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FPR2 P25090 1/20 0.38
UTS2R Q9UKP6 2/20 0.38
NCOA1 Q15788 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38

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
SCHEMBL3752645 0.84 ALDH1A1 (0.54) KMT2AEPHX1ALDH1A1KDM4EPKM
SCHEMBL10388448 0.80 ALDH1A1 (0.43) MEN1KMT2AEPHX1ALDH1A1MAPT
SCHEMBL27093069 0.76 TP53 (0.52) MEN1KMT2AEPHX1ALDH1A1MAPT
SCHEMBL1096056 0.75 ESR1 (0.49) KMT2AEPHX1ALDH1A1UTS2R
SCHEMBL5337633 0.74 NR4A2 (0.47) PKMSMN1; SMN2
SCHEMBL5337173 0.74 PPARG (0.40) PPARAPPARGMEN1KMT2AALDH1A1
SCHEMBL27726511 0.73 EPHX1 (0.52) EPHX1ALDH1A1HTTPKMNCOA1
SCHEMBL11845837 0.73 EPHX1 (0.52) EPHX1ALDH1A1HTTPKMNCOA1
SCHEMBL9067637 0.73 EPHX1 (0.52) EPHX1ALDH1A1HTTPKMNCOA1
SCHEMBL15666527 0.73 MBTD1 (0.45) PPARAPPARGEPHX1ALDH1A1HTT

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-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B WYETH (US) 2009-02-19 US disclosed
US-20050203081-A1 Inhibitors of protein tyrosine phosphatase 1B WYETH 2005-09-15 US disclosed
WO-2005081960-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 WO 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 (2 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-20050203081-A1 Inhibitors of protein tyrosine phosphatase 1B PTPRS, PTPRO, PTPRM PPARA 1638/4885PPARG 1685/4885SMO 3162/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM PPARA 1638/4885PPARG 1685/4885SMO 3162/4885

“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.