SCHEMBL6311014

SCHEMBL6311014

O=C(O)C(=O)Nc1sc(-c2ccccc2)cc1C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.71
RAB9A P51151 3/20 0.71
NPSR1 Q6W5P4 3/20 0.71
MAPT P10636 2/20 0.71
PTPN5 P54829 1/20 0.71
KDM4E B2RXH2 2/20 0.68
ERO1A Q96HE7 1/20 0.63
POLB P06746 1/20 0.61
ABCC1 P33527 2/20 0.60
PTPN1 P18031 2/20 0.60
PTPRF P10586 1/20 0.60
IKBKB O14920 1/20 0.60
JAK2 O60674 1/20 0.60
JAK3 P52333 1/20 0.60
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
GAA P10253 1/20 0.55
HPGD P15428 1/20 0.55
KMT2A Q03164 1/20 0.55
KCNK2 O95069 1/20 0.55

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
SCHEMBL6314189 0.89 NPC1 (0.59) NPC1RAB9ANPSR1MAPTPTPN5
SCHEMBL6310231 0.89 NPC1 (0.67) NPC1RAB9ANPSR1MAPTPTPN5
SCHEMBL6310620 0.87 ERO1A (0.66) NPC1RAB9ANPSR1MAPTPTPN5
SCHEMBL6318395 0.86 RAB9A (0.55) NPC1RAB9ANPSR1MAPTPTPN5
SCHEMBL6314184 0.85 PTPN1 (0.68) NPC1RAB9ANPSR1MAPTPTPN5
SCHEMBL23413408 0.84 NPC1 (0.72) NPC1RAB9ANPSR1MAPTPTPN5
SCHEMBL1563740 0.84 IKBKB (0.83) NPC1RAB9ANPSR1MAPTPTPN5
SCHEMBL23412899 0.83 NPC1 (1.00) NPC1RAB9ANPSR1MAPTPTPN5
SCHEMBL6312507 0.81 NPC1 (0.49) NPC1RAB9ANPSR1MAPTPTPN5
SCHEMBL21259118 0.81 NPC1 (0.67) NPC1RAB9ANPSR1MAPTPTPN5

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-1080068-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES Novo Nordisk A/S (DK) 2001-03-07 EP disclosed
WO-1999046237-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES 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 NPC1 3287/4885RAB9A 2766/4885NPSR1 1596/4885
US-20020002199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) PTPRCAP, PTPRS, PTPRA NPC1 3245/4885RAB9A 2751/4885NPSR1 1658/4885
US-20050119332-A1 Substituted thiophene compounds as modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPN1 NPC1 2766/4885RAB9A 2114/4885NPSR1 1255/4885

“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.