SCHEMBL4650893

SCHEMBL4650893

COc1ccc2[nH]cc(CCNC(=O)[C@H](Cc3ccc(OCC(=O)O)c(C(=O)O)c3)NS(=O)(=O)c3ccccc3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
ALDH1A1 P00352 2/20 0.53
GAA P10253 1/20 0.53
PTPN1 P18031 1/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
MMP2 P08253 3/20 0.49
MMP13 P45452 1/20 0.49
MMP14 P50281 1/20 0.49
ADAM17 P78536 1/20 0.49
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
TRPV1 Q8NER1 5/20 0.48
FAAH O00519 2/20 0.48
MTNR1A P48039 2/20 0.47
ACHE P22303 1/20 0.47
MMP9 P14780 2/20 0.46
LTA4H P09960 1/20 0.46
PLA2G2A P14555 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.46

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
SCHEMBL4650942 0.94 PTPN1 (0.50) MAPTALDH1A1GAAPTPN1MEN1
SCHEMBL4651215 0.87 PTPN1 (0.60) ALDH1A1PTPN1MEN1KMT2AMMP2
SCHEMBL4650968 0.84 PTPN1 (0.62) PTPN1MMP2MMP9HSD17B10
SCHEMBL4650871 0.82 PTPN1 (0.62) ALDH1A1PTPN1MMP2MMP9HSD17B10
SCHEMBL4651310 0.82 PTPN1 (0.57) ALDH1A1GAAPTPN1MMP2MMP9
SCHEMBL4650268 0.82 PTPN1 (0.58) PTPN1MEN1KMT2AMMP2MMP14
SCHEMBL4651374 0.79 PTPN1 (0.56) MAPTALDH1A1PTPN1
SCHEMBL4651102 0.79 PTPN1 (0.61) MAPTALDH1A1PTPN1MMP2MMP9
SCHEMBL4650251 0.78 PTPN1 (0.62) MAPTALDH1A1PTPN1
SCHEMBL4650882 0.78 PTPN1 (0.69) PTPN1HSD17B10

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 MAPT 4307/4885ALDH1A1 446/4885GAA 341/4885

“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.