SCHEMBL4467616

SCHEMBL4467616

CCCCc1c(-c2ccc(-c3ccc(OCCc4ccccc4)c(NCC(=O)O)c3)cc2)cn2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.49
HRH3 Q9Y5N1 2/20 0.42
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 4/20 0.40
HPGD P15428 4/20 0.40
KMT2A Q03164 4/20 0.40
GAA P10253 4/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
PPARG P37231 4/20 0.37

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
SCHEMBL4463151 0.77 HRH3 (0.49) PTPN1HRH3KDM4EALDH1A1MEN1
SCHEMBL4462123 0.75 HRH3 (0.52) HRH3KDM4EALDH1A1MEN1HPGD
SCHEMBL6510445 0.74 KDM4E (0.50) HRH3KDM4EALDH1A1MEN1HPGD
SCHEMBL4263431 0.71 PPARA (0.51) PTPN1HRH3KDM4EALDH1A1MEN1
SCHEMBL4471034 0.71 LTB4R2 (0.43) HRH3KDM4EALDH1A1MEN1HPGD
SCHEMBL4275272 0.70 PPARA (0.59) PTPN1PPARGPPARA
SCHEMBL4261577 0.70 PTPN1 (0.52) PTPN1HRH3KDM4EALDH1A1MEN1
SCHEMBL4267572 0.69 GAA (0.50) PTPN1HRH3KDM4EALDH1A1MEN1
SCHEMBL4259900 0.69 L3MBTL1 (0.49) PTPN1KDM4EALDH1A1MEN1HPGD
SCHEMBL4259898 0.69 L3MBTL1 (0.49) PTPN1KDM4EALDH1A1MEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006525365-A 2006-11-09 JP claimed
EP-1620422-A2 PHENYL SUBSTITUTED CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B The Institutes for Pharmaceutical Discovery, LLC (US) 2006-02-01 EP claimed
US-20050004369-A1 Phenyl substituted carboxylic acids INSTITUTES FOR PHARMACEUTICAL DISCOVERY, L.L.C. 2005-01-06 US claimed
WO-2004099170-A2 PHENYL SUBSTITUTED CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2004-11-18 WO claimed
US-7524878-B2 Phenyl substituted carboxylic acids THE INSTITUTE FOR PHARMACEUTICALS DISCOVERY LLC (US) 2009-04-28 US disclosed
US-20050004369-A1 Phenyl substituted carboxylic acids INSTITUTES FOR PHARMACEUTICAL DISCOVERY, L.L.C. 2005-01-06 US 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-20050004369-A1 Phenyl substituted carboxylic acids PTPA, PTPRS, PTPRO PTPN1 18/4885HRH3 4633/4885KDM4E 1082/4885

“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.