SCHEMBL4650451

SCHEMBL4650451

Nc1cc(C[C@H](NS(=O)(=O)c2ccccc2)C(=O)NCCOCc2ccccc2)ccc1OC(F)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.46
ITGA2B P08514 11/20 0.46
ITGAV P06756 10/20 0.46
F2 P00734 8/20 0.41
TMPRSS6 Q8IU80 8/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4650233 0.87 ITGB3 (0.48) ITGB3ITGA2BITGAVF2TMPRSS6
SCHEMBL4650447 0.87 ITGB3 (0.50) ITGB3ITGA2BITGAVF2TMPRSS6
SCHEMBL4650264 0.82 NPY5R (0.52) ITGB3ITGA2BITGAVHTTSMN1; SMN2
SCHEMBL4650967 0.82 ITGB3 (0.44) ITGB3ITGA2BITGAV
SCHEMBL7114722 0.82 ITGB3 (0.53) ITGB3ITGA2BITGAVF2TMPRSS6
SCHEMBL4650222 0.82 ITGB3 (0.53) ITGB3ITGA2BITGAVF2TMPRSS6
SCHEMBL4650994 0.81 ITGB3 (0.57) ITGB3ITGA2BITGAVF2TMPRSS6
SCHEMBL4650241 0.81 ITGB3 (0.45) ITGB3ITGA2BITGAV
SCHEMBL4651098 0.81 HSD17B10 (0.45) ITGB3ITGA2BITGAVSMN1; SMN2
SCHEMBL4651218 0.80 ITGB3 (0.48) ITGB3ITGA2BITGAVF2TMPRSS6

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
EP-1301474-B1 TYROSINE DERIVATIVES AS PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC (US) 2008-09-10 EP claimed
US-6586467-B2 Tyrosine phosphatase inhibitors useful in the treatment or prevention of Type II Diabetes Mellitus ARRAY BIOPHARMA INC. 2003-07-01 US claimed
EP-1301474-A2 TYROSINE DERIVATIVES AS PHOSPHATASE INHIBITORS Array Biopharma Inc. (US) 2003-04-16 EP claimed
US-20020040003-A1 Preparation of phosphatase inhibitors ARRAY BIOPHARMA INC. 2002-04-04 US claimed
WO-2002004412-A2 TYROSINE DERIVATIVES AS PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2002-01-17 WO claimed
EP-1301474-B1 TYROSINE DERIVATIVES AS PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC (US) 2008-09-10 EP disclosed
US-6586467-B2 Tyrosine phosphatase inhibitors useful in the treatment or prevention of Type II Diabetes Mellitus ARRAY BIOPHARMA INC. 2003-07-01 US disclosed
US-20020040003-A1 Preparation of phosphatase inhibitors ARRAY BIOPHARMA INC. 2002-04-04 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-20020040003-A1 Preparation of phosphatase inhibitors PTPRS, PTPRO, PTPRR ITGB3 3242/4885ITGA2B 2530/4885ITGAV 4271/4885

“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.