SCHEMBL6311429

SCHEMBL6311429

O=C(NCc1cc(C(=O)O)c(NC(=O)C(=O)O)s1)Nc1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.56
GSK3B P49841 1/20 0.56
GRIK1 P39086 1/20 0.50
TRPV1 Q8NER1 1/20 0.49
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
ALDH1A1 P00352 2/20 0.47
EPHX1 P07099 1/20 0.46
PKM P14618 1/20 0.45
CFD P00746 1/20 0.45
MAPT P10636 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 1/20 0.43
POLB P06746 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
PTPN1 P18031 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL6318279 0.84 CFD (0.43) KDM4EALDH1A1CFDMAPTNPC1
SCHEMBL6310340 0.83 LMNA (0.49) KDM4EGSK3BMEN1KMT2AALDH1A1
SCHEMBL6319032 0.83 GRIK1 (0.52) KDM4EGRIK1TRPV1MEN1KMT2A
SCHEMBL6319363 0.81 KMT2A (0.43) GSK3BMEN1KMT2AALDH1A1CFD
SCHEMBL6311622 0.77 HTT (0.52) MEN1KMT2AALDH1A1PKMMAPT
SCHEMBL6312363 0.77 SOAT1 (0.46) ALDH1A1
SCHEMBL6320140 0.76 GRIN1 (0.41) ALDH1A1
SCHEMBL6316701 0.76 ALDH1A1 (0.46) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL6313409 0.75 GRIK1 (0.51) KDM4EGRIK1MEN1KMT2AALDH1A1
SCHEMBL6318762 0.74 HSD17B10 (0.45) KDM4EALDH1A1EPHX1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050119332-A1 Substituted thiophene compounds as modulators of protein tyrosine phosphatases (PTPases) JEPPESEN LONE (DK) 2005-06-02 US claimed
US-20020165398-A1 Modulators of protein tyrosine phosphatases (PTPases) JEPPESEN LONE (DK) 2002-11-07 US claimed
US-20020002199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2002-01-03 US claimed
EP-1062204-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2000-12-27 EP claimed
WO-1999046244-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 WO claimed
US-20050119332-A1 Substituted thiophene compounds as modulators of protein tyrosine phosphatases (PTPases) JEPPESEN LONE (DK) 2005-06-02 US disclosed
US-20020165398-A1 Modulators of protein tyrosine phosphatases (PTPases) JEPPESEN LONE (DK) 2002-11-07 US disclosed
US-20020002199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2002-01-03 US disclosed
EP-1062204-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2000-12-27 EP disclosed
WO-1999046244-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 (3 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-20020165398-A1 Modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPRO KDM4E 2277/4885GSK3B 538/4885GRIK1 1342/4885
US-20020002199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) PTPRCAP, PTPRS, PTPRA KDM4E 2352/4885GSK3B 520/4885GRIK1 1417/4885
US-20050119332-A1 Substituted thiophene compounds as modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPN1 KDM4E 1223/4885GSK3B 573/4885GRIK1 1500/4885

“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.