SCHEMBL6314256

SCHEMBL6314256

COc1ccc(C=CC(=O)C(=O)NCC2Cc3c(sc(NC(=O)C(=O)O)c3C(=O)O)CO2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.46
MAPT P10636 6/20 0.45
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
NOD1 Q9Y239 1/20 0.41
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 1/20 0.40
HPGD P15428 1/20 0.40
TP53 P04637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PTPN1 P18031 3/20 0.39
NFE2L2 Q16236 1/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
PTPRC P08575 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPRB P23467 1/20 0.37

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
SCHEMBL6316667 0.83 MEN1 (0.50) MAPTALDH1A1MEN1KMT2ANOD1
SCHEMBL6317449 0.79 MAPT (0.52) FLT3MAPTMEN1HTTKMT2A
SCHEMBL6322712 0.77 PTPN1 (0.41) MAPTMEN1HTTKMT2APTPN1
SCHEMBL6205718 0.76 KMT2A (0.49) FLT3MAPTALDH1A1MEN1KMT2A
SCHEMBL6318285 0.75 ALDH1A1 (0.44) MAPTALDH1A1MEN1GAAKMT2A
SCHEMBL6314943 0.75 KMT2A (0.56) FLT3MAPTALDH1A1MEN1KMT2A
SCHEMBL5837862 0.75 PTPN1 (0.45) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL6316673 0.75 PTPN1 (0.46) KMT2APTPN1PTPRCPTPN2PTPRB
SCHEMBL6316945 0.75 PTPN1 (0.45) MAPTALDH1A1MEN1HTTKMT2A
SCHEMBL6322930 0.74 PTPN1 (0.47) MAPTALDH1A1PTPN1SMN1; SMN2PTPRC

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-6410586-B1 ANTICOAGULANTS; INSULIN RESISTANCE; ANTIALLERGENS NOVO NORDISK A/S (DK) 2002-06-25 US claimed
EP-1080095-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2001-03-07 EP claimed
WO-1999046267-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 WO claimed
US-6951878-B2 Benzo[b]thiophenyl or tetrahydro-benzo[b]thiophenyl modulators of protein tyrosine phosphatases (PTPases) NOVO NORDISK A/S (DK) 2005-10-04 US disclosed
US-20030069267-A1 Modulators of protein tyrosine phosphatases (PTPases) MOLLER NIELS PETER HUNDAHL (DK) 2003-04-10 US disclosed
US-6410586-B1 ANTICOAGULANTS; INSULIN RESISTANCE; ANTIALLERGENS NOVO NORDISK A/S (DK) 2002-06-25 US disclosed
US-6262044-B1 CONTAINING AN AMIDE-SUBSTITUTED TETRAHYDROTHIENOPYRIDINE RING NOVO NORDISK A/S (DK) 2001-07-17 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-20030069267-A1 Modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPRA FLT3 349/4885MAPT 475/4885ALDH1A1 3737/4885

“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.