SCHEMBL4650306

SCHEMBL4650306

COC(=O)COc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1C(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.51
ITGB3 P05106 2/20 0.49
ITGA2B P08514 2/20 0.49
ACE P12821 2/20 0.49
ITGA4 P13612 2/20 0.48
ITGB7 P26010 2/20 0.48
PTPN22 Q9Y2R2 1/20 0.44
CTSS P25774 3/20 0.43
CTSK P43235 3/20 0.43
CTSB P07858 2/20 0.43
PPARA Q07869 3/20 0.43
PPARG P37231 2/20 0.43
ITGB1 P05556 1/20 0.42
ITGAV P06756 1/20 0.42
ITGB5 P18084 1/20 0.42

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
SCHEMBL7674386 0.93 PTPN1 (0.61) PTPN1ACEPTPN22CTSSCTSK
SCHEMBL7117053 0.89 PTPN1 (0.52) PTPN1ITGB3ITGA2BITGA4ITGB7
SCHEMBL4650261 0.88 PTPN1 (0.51) PTPN1ACEPTPN22CTSSCTSK
SCHEMBL7680157 0.85 PTPN1 (0.56) PTPN1ACEPTPN22CTSSCTSK
SCHEMBL4650405 0.84 PTPN1 (0.53) PTPN1PTPN22CTSSCTSKCTSB
SCHEMBL7672421 0.84 PTPN1 (0.58) PTPN1PTPN22CTSSCTSKCTSB
SCHEMBL2328680 0.82 PTPN1 (0.56) PTPN1ITGB3ITGA2BACEITGA4
SCHEMBL2328686 0.82 PTPN1 (0.56) PTPN1ITGB3ITGA2BACEITGA4
SCHEMBL10883770 0.82 ITGB3 (0.67) PTPN1ITGB3ITGA2BACEITGA4
SCHEMBL3811846 0.80 ACE (0.57) PTPN1ITGB3ITGA2BACEITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2315760-B1 PIPERAZINE COMPOUNDS WITH HERBICIDAL EFFECT BASF SE (DE) 2013-03-06 EP disclosed
EP-1791825-B1 BENZOYL-SUBSTITUTED SERINE AMIDES BASF SE (DE) 2008-09-17 EP disclosed
EP-1301474-B1 TYROSINE DERIVATIVES AS PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC (US) 2008-09-10 EP disclosed
EP-1773787-A1 METHOD FOR THE PRODUCTION OF 3-PHENYL(THIO)URACILS AND DITHIOURACILS BASF AKTIENGESELLSCHAFT (DE) 2007-04-18 EP disclosed
WO-2006010474-A1 METHOD FOR THE PRODUCTION OF 3-PHENYL(THIO)URACILS AND DITHIOURACILS BASF AKTIENGESELLSCHAFT (DE) 2006-02-02 WO 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
EP-1301474-A2 TYROSINE DERIVATIVES AS PHOSPHATASE INHIBITORS Array Biopharma Inc. (US) 2003-04-16 EP disclosed
US-20020040003-A1 Preparation of phosphatase inhibitors ARRAY BIOPHARMA INC. 2002-04-04 US disclosed
WO-2002004412-A2 TYROSINE DERIVATIVES AS PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2002-01-17 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-20020040003-A1 Preparation of phosphatase inhibitors PTPRS, PTPRO, PTPRR PTPN1 5/4885ITGB3 3242/4885ITGA2B 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.