SCHEMBL4650872

SCHEMBL4650872

COc1ccc(OCCCNC(=O)CC(NS(=O)(=O)c2ccccc2)c2ccc(OCC(=O)O)c(C(=O)O)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
PTPN1 P18031 1/20 0.45
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA9 Q16790 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
RECQL P46063 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL7050019 0.92 ALDH1A1 (0.54) ALDH1A1PTPN1TP53POLBKMT2A
SCHEMBL4651379 0.92 ALDH1A1 (0.58) ALDH1A1PTPN1PKMSMN1; SMN2POLB
SCHEMBL4651316 0.89 ALDH1A1 (0.48) ALDH1A1PTPN1TP53POLBKMT2A
SCHEMBL4650884 0.88 PTPN1 (0.49) ALDH1A1PTPN1
SCHEMBL4651105 0.86 PTPN1 (0.44) ALDH1A1PTPN1TP53KMT2AHPGD
SCHEMBL7054363 0.85 PTPN1 (0.46) ALDH1A1PTPN1TP53KMT2AHPGD
SCHEMBL4650271 0.84 BDKRB1 (0.45) ALDH1A1PTPN1SMN1; SMN2POLBKMT2A
SCHEMBL4651111 0.84 ALDH1A1 (0.41) ALDH1A1PTPN1POLB
SCHEMBL7053662 0.83 ALDH1A1 (0.47) ALDH1A1TP53POLBKMT2AMEN1
SCHEMBL4650871 0.81 PTPN1 (0.62) ALDH1A1PTPN1MAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6586467-B2 Tyrosine phosphatase inhibitors useful in the treatment or prevention of Type II Diabetes Mellitus ARRAY BIOPHARMA INC. 2003-07-01 US claimed
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 ALDH1A1 446/4885PTPN1 5/4885PKM 2224/4885

“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.