SCHEMBL6314280

SCHEMBL6314280

O=C(C=Cc1cccs1)NCC1Cc2c(sc(NC(=O)C(=O)O)c2C(=O)O)CO1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
NOD1 Q9Y239 3/20 0.55
MEN1 O00255 3/20 0.55
POLB P06746 2/20 0.55
TNF P01375 2/20 0.53
PTPN1 P18031 9/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 4/20 0.40
PTPN2 P17706 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
PTPRC P08575 2/20 0.40
PTPRB P23467 2/20 0.40
PTPRE P23469 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
BLM P54132 1/20 0.40
UBE2I P63279 1/20 0.40

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
SCHEMBL6317449 0.88 MAPT (0.52) KMT2ANOD1MEN1POLBPTPN1
SCHEMBL6314369 0.85 MAPT (0.57) KMT2AMEN1POLBPTPN1SMN1; SMN2
SCHEMBL6323701 0.83 RAB7A (0.46) KMT2AMEN1POLBPTPN1SMN1; SMN2
SCHEMBL6316945 0.83 PTPN1 (0.45) KMT2AMEN1POLBPTPN1SMN1; SMN2
SCHEMBL6317364 0.83 LMNA (0.52) KMT2AMEN1POLBPTPN1SMN1; SMN2
SCHEMBL6315775 0.83 NPC1 (0.41) KMT2ANOD1MEN1POLBPTPN1
SCHEMBL6318337 0.83 PTPN1 (0.47) PTPN1PTPN2PTPRCPTPRBPTPRE
SCHEMBL6317789 0.82 HSD17B10 (0.50) KMT2AMEN1POLBPTPN1SMN1; SMN2
SCHEMBL6322712 0.82 PTPN1 (0.41) KMT2AMEN1PTPN1SMN1; SMN2MAPT
SCHEMBL6316673 0.82 PTPN1 (0.46) KMT2APOLBPTPN1PTPN2PTPRC

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 9 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
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
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 KMT2A 3329/4885NOD1 1330/4885MEN1 3307/4885

“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.