SCHEMBL6319180

SCHEMBL6319180

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.45
NPC1 O15118 7/20 0.45
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 2/20 0.43
MAOB P27338 1/20 0.43
HTT P42858 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
NAMPT P43490 1/20 0.41
GRIK1 P39086 1/20 0.41
HIF1A Q16665 1/20 0.41
MAPT P10636 1/20 0.41
PTPN2 P17706 1/20 0.40
PTPRB P23467 1/20 0.40
PTPN6 P29350 1/20 0.40
ALOX15 P16050 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
SCHEMBL6311622 0.88 HTT (0.52) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL6310340 0.88 LMNA (0.49) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL6311917 0.86 SMN1; SMN2 (0.53) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL6313409 0.86 GRIK1 (0.51) RAB9AALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6312106 0.85 MEN1 (0.49) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL6317616 0.85 MEN1 (0.53) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL6318279 0.84 CFD (0.43) RAB9ANPC1ALDH1A1MAPT
SCHEMBL6311429 0.83 KDM4E (0.56) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL6319032 0.83 GRIK1 (0.52) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL6320140 0.82 GRIN1 (0.41) ALDH1A1NAMPT

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 RAB9A 2766/4885NPC1 3287/4885ALDH1A1 3669/4885
US-20020002199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) PTPRCAP, PTPRS, PTPRA RAB9A 2751/4885NPC1 3245/4885ALDH1A1 3737/4885
US-20050119332-A1 Substituted thiophene compounds as modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPN1 RAB9A 2114/4885NPC1 2766/4885ALDH1A1 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.