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SCHEMBL4651005

SCHEMBL4651005

Nc1cc(C(CC(=O)NCCCCc2cccc(C(F)(F)F)c2)NS(=O)(=O)c2ccccc2)ccc1OC(F)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 12/20 0.43
▸ ITGAV P06756 12/20 0.43
▸ ITGA2B P08514 12/20 0.43
▸ TACR1 P25103 2/20 0.42
▸ EEF2K O00418 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ ADAMTS4 O75173 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ ADAMTS5 Q9UNA0 1/20 0.37
▸ SLC1A3 P43003 1/20 0.37
▸ SLC1A2 P43004 1/20 0.37
▸ BDKRB1 P46663 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ ITGB1 P05556 1/20 0.36
▸ ITGA5 P08648 1/20 0.36

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
SCHEMBL4650253 0.93 EEF2K (0.44) ITGB3ITGAVITGA2BTACR1EEF2K
SCHEMBL4650237 0.92 THRB (0.43) ALDH1A1MMP13BDKRB1THRB
SCHEMBL4650246 0.89 ALDH1A1 (0.47) ALDH1A1
SCHEMBL4651230 0.87 ALDH1A1 (0.38) ITGB3ITGAVITGA2BTACR1EEF2K
SCHEMBL4650977 0.85 ALDH1A1 (0.51) ALDH1A1BDKRB1
SCHEMBL4650994 0.83 ITGB3 (0.57) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL4651099 0.83 ALDH1A1 (0.49) ITGB3ITGAVITGA2BALDH1A1
Benzene SCHEMBL4651130 0.83 ALDH1A1 (0.44) ALDH1A1THRB
SCHEMBL4651108 0.83 ALDH1A1 (0.44) ALDH1A1
SCHEMBL4650361 0.82 ALDH1A1 (0.42) ITGB3ITGAVITGA2BTACR1EEF2K

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 3242/4885ITGAV 4271/4885ITGA2B 2530/4885

“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.