SCHEMBL6316667

SCHEMBL6316667

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NOD1 Q9Y239 1/20 0.44
PTPN1 P18031 6/20 0.42
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PTPRC P08575 2/20 0.39
PTPN2 P17706 2/20 0.39
PTPRB P23467 2/20 0.39
PTPRE P23469 2/20 0.39
PTPN6 P29350 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL6316036 0.85 PTPN1 (0.47) PTPN1ALDH1A1PTPRCPTPN2PTPRB
SCHEMBL6317045 0.84 THRB (0.47) MEN1KMT2APTPN1ALDH1A1PTPRC
SCHEMBL6317344 0.84 PTPN1 (0.41) PTPN1ALDH1A1PTPRCPTPN2PTPRB
SCHEMBL6314256 0.83 FLT3 (0.46) MEN1KMT2ANOD1PTPN1KDM4E
SCHEMBL6323714 0.81 PTPN1 (0.41) PTPN1PTPRCPTPN2PTPRBPTPRE
SCHEMBL6317789 0.79 HSD17B10 (0.50) MEN1KMT2APTPN1KDM4EALDH1A1
SCHEMBL6205718 0.79 KMT2A (0.49) MEN1KMT2ANOD1PTPN1ALDH1A1
SCHEMBL6322930 0.78 PTPN1 (0.47) PTPN1ALDH1A1PTPRCPTPN2PTPRB
SCHEMBL6315643 0.78 PTPN1 (0.47) KMT2APTPN1PTPRCPTPN2PTPRB
SCHEMBL6395534 0.78 SMN1; SMN2 (0.50) PTPN1KDM4EALDH1A1PTPRCPTPN2

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
US-20030069267-A1 Modulators of protein tyrosine phosphatases (PTPases) MOLLER NIELS PETER HUNDAHL (DK) 2003-04-10 US claimed
US-6410586-B1 ANTICOAGULANTS; INSULIN RESISTANCE; ANTIALLERGENS NOVO NORDISK A/S (DK) 2002-06-25 US 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
EP-1080095-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2001-03-07 EP disclosed
WO-1999046267-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 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-20030069267-A1 Modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPRA MEN1 3307/4885KMT2A 3329/4885NOD1 1330/4885

“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.