SCHEMBL4267572

SCHEMBL4267572

CCCCc1c(-c2ccc(-c3ccc(OC(C)C(=O)O)cc3)cc2)cn2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
PKM P14618 1/20 0.50
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 6/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 4/20 0.46
HPGD P15428 4/20 0.46
KMT2A Q03164 4/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
PPARA Q07869 4/20 0.45
PPARG P37231 2/20 0.45
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL4261577 0.88 PTPN1 (0.52) GAACYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL4275272 0.86 PPARA (0.59) PPARAPPARGPTPN1
SCHEMBL4263431 0.85 PPARA (0.51) GAACYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL4463151 0.83 HRH3 (0.49) GAACYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL6510445 0.82 KDM4E (0.50) GAACYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL4462123 0.82 HRH3 (0.52) GAACYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL4261656 0.78 KDM4E (0.42) GAACYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL4263437 0.77 KDM4E (0.41) GAACYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL4259898 0.75 L3MBTL1 (0.49) GAACYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL4259900 0.75 L3MBTL1 (0.49) GAACYP1A2CYP2C9CYP2C19KDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082392-A1 Substituted Carboxylic Acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY LLC 2009-03-26 US claimed
US-7358364-B2 treatment of diabetes and/or cancer; useful in the treatment of syndrome X; capable of inhibiting Protein tyrosine phosphatase THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC (US) 2008-04-15 US claimed
US-20040266788-A1 Substituted carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC 2004-12-30 US claimed
US-20090082392-A1 Substituted Carboxylic Acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY LLC 2009-03-26 US disclosed
US-7358364-B2 treatment of diabetes and/or cancer; useful in the treatment of syndrome X; capable of inhibiting Protein tyrosine phosphatase THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC (US) 2008-04-15 US disclosed
EP-1620420-A2 SUBSTITUTED CARBOXYLIC ACIDS The Institutes for Pharmaceutical Discovery, LLC (US) 2006-02-01 EP disclosed
US-20040266788-A1 Substituted carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC 2004-12-30 US disclosed
WO-2004099168-A2 SUBSTITUTED CARBOXYLIC ACIDS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2004-11-18 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-20040266788-A1 Substituted carboxylic acids PTP4A1, PTPRS, G6PC1 GAA 158/4885CYP1A2 1102/4885CYP2C9 874/4885
US-20090082392-A1 Substituted Carboxylic Acids PTPRJ, PTPRS, PTPRG GAA 123/4885CYP1A2 1310/4885CYP2C9 896/4885

“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.