SCHEMBL4650912

SCHEMBL4650912

COC(=O)COc1ccc(C(CC(=O)NCc2ccc(OC)cc2)NS(=O)(=O)c2ccccc2)cc1C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
POLB P06746 2/20 0.46
TP53 P04637 1/20 0.46
SGMS1 Q86VZ5 1/20 0.45
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.42
BDKRB1 P46663 2/20 0.42
BDKRB2 P30411 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41

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
SCHEMBL7053662 0.94 ALDH1A1 (0.47) ALDH1A1MMP2MMP9POLBTP53
SCHEMBL4651316 0.89 ALDH1A1 (0.48) ALDH1A1MMP2MMP9POLBTP53
SCHEMBL7155948 0.82 POLB (0.51) ALDH1A1MMP2MMP9POLBSGMS1
SCHEMBL4650907 0.82 POLB (0.51) ALDH1A1MMP2MMP9POLBSGMS1
SCHEMBL7050019 0.79 ALDH1A1 (0.54) ALDH1A1POLBTP53SGMS1KMT2A
SCHEMBL4650872 0.77 ALDH1A1 (0.60) ALDH1A1POLBTP53KMT2AMEN1
SCHEMBL7053651 0.76 POLB (0.51) ALDH1A1MMP2MMP9POLBSGMS1
SCHEMBL4650271 0.72 BDKRB1 (0.45) ALDH1A1MMP2MMP9POLBKDM4E
SCHEMBL4651379 0.72 ALDH1A1 (0.58) ALDH1A1POLBLMNAKMT2AMEN1
SCHEMBL4650322 0.71 ALDH1A1 (0.48) ALDH1A1POLBTP53PLA2G1BATG4B

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 ALDH1A1 446/4885MMP2 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.