SCHEMBL4650322

SCHEMBL4650322

O=C(O)COc1ccc(C(CC(=O)NCc2ccco2)NS(=O)(=O)c2ccccc2)cc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.48
HTT P42858 3/20 0.46
HPGD P15428 5/20 0.45
USP2 O75604 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 5/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 3/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
PLA2G1B P04054 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 2/20 0.43
MEN1 O00255 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL4650271 0.82 BDKRB1 (0.45) ALDH1A1KDM4EMAPTPOLBSMN1; SMN2
SCHEMBL4651111 0.82 ALDH1A1 (0.41) ALDH1A1KDM4EPOLBL3MBTL1
SCHEMBL4651316 0.82 ALDH1A1 (0.48) ALDH1A1KDM4EPOLBTP53PLA2G1B
SCHEMBL4650884 0.81 PTPN1 (0.49) ALDH1A1L3MBTL1
SCHEMBL4651105 0.81 PTPN1 (0.44) ALDH1A1HTTHPGDMAPTTP53
SCHEMBL4650321 0.80 ALDH1A1 (0.49) ALDH1A1HTTHPGDUSP2KDM4E
SCHEMBL4651379 0.80 ALDH1A1 (0.58) ALDH1A1HPGDMAPTRAB9ANPC1
SCHEMBL7054363 0.80 PTPN1 (0.46) ALDH1A1HTTHPGDMAPTTP53
SCHEMBL4650872 0.78 ALDH1A1 (0.60) ALDH1A1HPGDHSD17B10POLBTP53
SCHEMBL7053662 0.77 ALDH1A1 (0.47) ALDH1A1KDM4ENPC1POLBTP53

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 8 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
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 446/4885HTT 4865/4885HPGD 3275/4885

“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.