SCHEMBL4829702

SCHEMBL4829702

CC(C)(C)OC(=O)NC(Cc1ccc(Oc2ccc(F)c(Cl)c2)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.55
ITGB3 P05106 2/20 0.55
ITGA2B P08514 2/20 0.55
ACE P12821 1/20 0.53
CTSS P25774 6/20 0.49
CTSK P43235 5/20 0.49
SCN9A Q15858 1/20 0.48
PPARA Q07869 3/20 0.48
PPARG P37231 2/20 0.48
BCL2 P10415 1/20 0.47
CTSL P07711 2/20 0.46
ITGB1 P05556 1/20 0.45
ITGAV P06756 1/20 0.45
ITGB5 P18084 1/20 0.45
ITGA4 P13612 1/20 0.44
ITGB7 P26010 1/20 0.44
CTSB P07858 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
PPARD Q03181 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
SCHEMBL4831948 1.00 PTPN1 (0.55) PTPN1ITGB3ITGA2BACECTSS
SCHEMBL4833191 0.91 KLK5 (0.48) PTPN1ITGB3ITGA2BACECTSS
SCHEMBL4831502 0.91 KLK5 (0.48) PTPN1ITGB3ITGA2BACECTSS
SCHEMBL16095718 0.89 PTPN1 (0.58) PTPN1ITGB3ITGA2BACECTSS
SCHEMBL9957479 0.89 PTPN1 (0.58) PTPN1ITGB3ITGA2BACECTSS
SCHEMBL9957484 0.89 PTPN1 (0.58) PTPN1ITGB3ITGA2BACECTSS
SCHEMBL2290589 0.88 ITGB3 (0.62) PTPN1ITGB3ITGA2BACECTSS
SCHEMBL2290585 0.88 ITGB3 (0.62) PTPN1ITGB3ITGA2BACECTSS
SCHEMBL2287582 0.85 ITGB3 (0.59) PTPN1ITGB3ITGA2BACECTSS
SCHEMBL2287578 0.85 ITGB3 (0.59) PTPN1ITGB3ITGA2BACECTSS

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-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 US disclosed
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 US disclosed
WO-2005014534-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 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 (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-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use CYP2F1, CYP3A43, PNPO PTPN1 454/4885ITGB3 3007/4885ITGA2B 4019/4885

“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.