SCHEMBL4650942

SCHEMBL4650942

COc1ccc2c(CCNC(=O)[C@H](Cc3ccc(OCC(=O)O)c(C(=O)O)c3)NS(=O)(=O)c3ccccc3)c[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.50
MAPT P10636 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ACHE P22303 1/20 0.47
MMP2 P08253 5/20 0.46
MMP9 P14780 5/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
CDK2 P24941 1/20 0.43
MMP13 P45452 1/20 0.43
MMP14 P50281 1/20 0.43
ADAM17 P78536 1/20 0.43

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
SCHEMBL4650893 0.94 MAPT (0.53) PTPN1MAPTMEN1KMT2AACHE
SCHEMBL4651215 0.87 PTPN1 (0.60) PTPN1MEN1KMT2AMMP2MMP9
SCHEMBL4650968 0.84 PTPN1 (0.62) PTPN1MMP2MMP9
SCHEMBL4650871 0.82 PTPN1 (0.62) PTPN1MMP2MMP9ALDH1A1MAPK1
SCHEMBL4651310 0.82 PTPN1 (0.57) PTPN1MMP2MMP9ALDH1A1GAA
SCHEMBL4650268 0.82 PTPN1 (0.58) PTPN1MEN1KMT2AMMP2MMP9
SCHEMBL4651374 0.79 PTPN1 (0.56) PTPN1MAPTALDH1A1MAPK1
SCHEMBL4651102 0.79 PTPN1 (0.61) PTPN1MAPTMMP2MMP9ALDH1A1
SCHEMBL4650251 0.78 PTPN1 (0.62) PTPN1MAPTALDH1A1
SCHEMBL4650882 0.78 PTPN1 (0.69) PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PTPN1 5/4885MAPT 4307/4885MEN1 3034/4885

“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.