SCHEMBL4650907

SCHEMBL4650907

COC(=O)COc1ccc(C[C@H](NS(=O)(=O)c2ccccc2)C(=O)NCc2ccc(OC)cc2)cc1C(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
MMP2 P08253 2/20 0.47
MMP9 P14780 2/20 0.47
PTPN1 P18031 1/20 0.45
BMP1 P13497 1/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
F2 P00734 4/20 0.43
TMPRSS6 Q8IU80 4/20 0.43
CAPN1 P07384 1/20 0.42
SGMS1 Q86VZ5 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 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
SCHEMBL7155948 1.00 POLB (0.51) POLBMMP2MMP9PTPN1BMP1
SCHEMBL7053651 0.94 POLB (0.51) POLBMMP2MMP9PTPN1BMP1
SCHEMBL4651310 0.88 PTPN1 (0.57) POLBMMP2MMP9PTPN1BMP1
SCHEMBL4650912 0.82 ALDH1A1 (0.47) POLBMMP2MMP9ALDH1A1KDM4E
SCHEMBL4650315 0.80 PPARD (0.46) ALDH1A1GAAHPGDTSHRPPARD
SCHEMBL4651215 0.80 PTPN1 (0.60) POLBMMP2MMP9PTPN1ALDH1A1
SCHEMBL4650405 0.80 PTPN1 (0.53) PTPN1ALDH1A1
SCHEMBL4650968 0.79 PTPN1 (0.62) MMP2MMP9PTPN1BMP1HSD17B10
SCHEMBL4650871 0.79 PTPN1 (0.62) MMP2MMP9PTPN1BMP1ALDH1A1
SCHEMBL7117053 0.79 PTPN1 (0.52) PTPN1PPARDPPARA

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 5 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 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 POLB 3603/4885MMP2 1609/4885MMP9 3193/4885

“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.