SCHEMBL6318279

SCHEMBL6318279

O=C(NCc1cc(C(=O)O)c(NC(=O)C(=O)O)s1)Nc1ccccc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.43
ALDH1A1 P00352 3/20 0.42
IKBKB O14920 1/20 0.41
PTPN1 P18031 2/20 0.41
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
FABP5 Q01469 1/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PTPRF P10586 1/20 0.39
GOT1 P17174 1/20 0.39
MAPT P10636 2/20 0.39
PTPN5 P54829 1/20 0.39
DGAT2 Q96PD7 1/20 0.38
RET P07949 1/20 0.38
FLT1 P17948 1/20 0.38
KDR P35968 1/20 0.38
MAPK14 Q16539 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
SCHEMBL6319180 0.84 RAB9A (0.45) ALDH1A1RAB9ANPC1MAPT
SCHEMBL6311429 0.84 KDM4E (0.56) CFDALDH1A1PTPN1RAB9ANPC1
SCHEMBL6319032 0.84 GRIK1 (0.52) CFDALDH1A1RAB9ANPC1KDM4E
SCHEMBL6310351 0.83 GRIK1 (0.51) ALDH1A1RAB9ANPC1KDM4EMAPT
SCHEMBL6319363 0.82 KMT2A (0.43) CFDALDH1A1RAB9ANPC1MAPT
SCHEMBL6310340 0.82 LMNA (0.49) CFDALDH1A1IKBKBPTPN1RAB9A
SCHEMBL6320140 0.77 GRIN1 (0.41) ALDH1A1
SCHEMBL6316701 0.77 ALDH1A1 (0.46) ALDH1A1PTPN1RAB9ANPC1KDM4E
SCHEMBL6312363 0.75 SOAT1 (0.46) ALDH1A1SOAT1
SCHEMBL6310632 0.75 KMT2A (0.48) ALDH1A1RAB9ANPSR1KDM4EMAPT

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-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 CFD 4481/4885ALDH1A1 3669/4885IKBKB 1687/4885
US-20020002199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) PTPRCAP, PTPRS, PTPRA CFD 4493/4885ALDH1A1 3737/4885IKBKB 1694/4885
US-20050119332-A1 Substituted thiophene compounds as modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPN1 CFD 4786/4885ALDH1A1 2235/4885IKBKB 1544/4885

“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.