SCHEMBL6310340

SCHEMBL6310340

O=C(NCc1ccccc1)NCc1cc(C(=O)O)c(NC(=O)C(=O)O)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
CFD P00746 1/20 0.49
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
EPHX1 P07099 1/20 0.43
IKBKB O14920 1/20 0.43
PTPN1 P18031 1/20 0.43
EPHX2 P34913 1/20 0.42
PTPN2 P17706 1/20 0.40
PTPRB P23467 1/20 0.40
PTPN6 P29350 1/20 0.40
APEX1 P27695 1/20 0.40
GSK3B P49841 1/20 0.40
MMP3 P08254 1/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 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
SCHEMBL6319180 0.88 RAB9A (0.45) ALDH1A1KMT2ASMN1; SMN2PTPN2PTPRB
SCHEMBL6316701 0.85 ALDH1A1 (0.46) ALDH1A1KMT2ASMN1; SMN2PTPN1PTPN2
SCHEMBL6320149 0.83 SMN1; SMN2 (0.43) LMNAALDH1A1SMN1; SMN2PTPN1PTPN2
SCHEMBL6311429 0.83 KDM4E (0.56) LMNACFDALDH1A1KMT2ASMN1; SMN2
SCHEMBL6317833 0.83 NPSR1 (0.55) LMNAALDH1A1KMT2ASMN1; SMN2PTPN1
SCHEMBL6320140 0.82 GRIN1 (0.41) ALDH1A1
SCHEMBL6318279 0.82 CFD (0.43) LMNACFDALDH1A1IKBKBPTPN1
SCHEMBL6319032 0.81 GRIK1 (0.52) CFDALDH1A1KMT2AEPHX2KDM4E
SCHEMBL6318762 0.81 HSD17B10 (0.45) ALDH1A1EPHX1PTPN1PTPN2PTPRB
SCHEMBL6311379 0.80 ALDH1A1 (0.42) ALDH1A1KMT2ASMN1; SMN2EPHX1PTPN1

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 LMNA 4790/4885CFD 4481/4885ALDH1A1 3669/4885
US-20020002199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) PTPRCAP, PTPRS, PTPRA LMNA 4783/4885CFD 4493/4885ALDH1A1 3737/4885
US-20050119332-A1 Substituted thiophene compounds as modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPN1 LMNA 4870/4885CFD 4786/4885ALDH1A1 2235/4885

“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.