SCHEMBL6310620

SCHEMBL6310620

O=C(O)C(=O)Nc1sc(-c2ccc(Br)cc2)cc1C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERO1A Q96HE7 1/20 0.66
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
NPSR1 Q6W5P4 3/20 0.55
MAPT P10636 2/20 0.55
PTPN5 P54829 1/20 0.55
KDM4E B2RXH2 2/20 0.52
POLB P06746 1/20 0.48
ABCC1 P33527 2/20 0.47
PTPN1 P18031 6/20 0.47
PTPRA P18433 2/20 0.46
IKBKB O14920 2/20 0.46
JAK2 O60674 2/20 0.46
PTPRF P10586 1/20 0.46
JAK3 P52333 1/20 0.46
PTPN2 P17706 1/20 0.45
PTPRB P23467 1/20 0.45
PTPN6 P29350 1/20 0.45
MEN1 O00255 1/20 0.44
EIF2AK2 P19525 1/20 0.44

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
SCHEMBL6311014 0.87 NPC1 (0.71) ERO1ANPC1RAB9ANPSR1MAPT
SCHEMBL6314189 0.80 NPC1 (0.59) ERO1ANPC1RAB9ANPSR1MAPT
SCHEMBL6310231 0.80 NPC1 (0.67) ERO1ANPC1RAB9ANPSR1MAPT
SCHEMBL6318395 0.80 RAB9A (0.55) ERO1ANPC1RAB9ANPSR1MAPT
SCHEMBL6314184 0.76 PTPN1 (0.68) ERO1ANPC1RAB9ANPSR1MAPT
SCHEMBL6312507 0.75 NPC1 (0.49) ERO1ANPC1RAB9ANPSR1MAPT
SCHEMBL6312963 0.74 ALDH1A1 (0.44) ERO1ANPC1RAB9ANPSR1MAPT
SCHEMBL6310899 0.74 NPC1 (0.49) ERO1ANPC1RAB9ANPSR1MAPT
SCHEMBL6310194 0.73 LMNA (0.50) NPC1RAB9ANPSR1MAPTPTPN5
SCHEMBL5898689 0.73 IKBKB (0.59) ERO1AIKBKBJAK2JAK3MEN1

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-20050119332-A1 Substituted thiophene compounds as modulators of protein tyrosine phosphatases (PTPases) JEPPESEN LONE (DK) 2005-06-02 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 ERO1A 2090/4885NPC1 3287/4885RAB9A 2766/4885
US-20020002199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) PTPRCAP, PTPRS, PTPRA ERO1A 2059/4885NPC1 3245/4885RAB9A 2751/4885
US-20050119332-A1 Substituted thiophene compounds as modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPN1 ERO1A 1967/4885NPC1 2766/4885RAB9A 2114/4885

“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.