SCHEMBL6315989

SCHEMBL6315989

Clc1ncnc2sc3c(c12)CCOC3

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 5/20 0.69
MET P08581 1/20 0.45
KDR P35968 1/20 0.45
HTT P42858 2/20 0.44
PDE1B Q01064 4/20 0.40
TSHR P16473 3/20 0.40
LMNA P02545 2/20 0.39
MKNK1 Q9BUB5 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ABCB1 P08183 1/20 0.38
DRD2 P14416 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL6322896 0.78 LIMK1 (0.68) LIMK1METKDRHTTTSHR
SCHEMBL735589 0.78 LIMK1 (0.66) LIMK1KDRHTTTSHRLMNA
SCHEMBL11742 0.78 LIMK1 (0.66) LIMK1HTTTSHRLMNAMKNK1
SCHEMBL15883579 0.77 LIMK1 (0.48) LIMK1METKDRPDE1BKDM4E
SCHEMBL15140475 0.74 LIMK1 (0.42) LIMK1HTTTSHRLMNAMKNK1
SCHEMBL2084659 0.73 LMNA (0.52) LIMK1HTTTSHRLMNAALDH1A1
SCHEMBL1015876 0.73 SIGMAR1 (0.50) METKDRDRD2
SCHEMBL15115915 0.72 HSD17B10 (0.71) LIMK1LMNAALDH1A1KDM4EGAA
SCHEMBL17296426 0.72 LIMK1 (0.52) LIMK1HTTTSHRLMNAMKNK1
Hydrochloric Acid SCHEMBL17296432 0.72 SIGMAR1 (0.49) METKDRDRD2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951878-B2 Benzo[b]thiophenyl or tetrahydro-benzo[b]thiophenyl modulators of protein tyrosine phosphatases (PTPases) NOVO NORDISK A/S (DK) 2005-10-04 US disclosed
US-20030069267-A1 Modulators of protein tyrosine phosphatases (PTPases) MOLLER NIELS PETER HUNDAHL (DK) 2003-04-10 US disclosed
US-6410586-B1 ANTICOAGULANTS; INSULIN RESISTANCE; ANTIALLERGENS NOVO NORDISK A/S (DK) 2002-06-25 US disclosed
US-6262044-B1 CONTAINING AN AMIDE-SUBSTITUTED TETRAHYDROTHIENOPYRIDINE RING NOVO NORDISK A/S (DK) 2001-07-17 US disclosed
EP-1080095-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2001-03-07 EP disclosed
EP-1080068-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES Novo Nordisk A/S (DK) 2001-03-07 EP disclosed
WO-1999046267-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 WO 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 (1 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-20030069267-A1 Modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPRA LIMK1 699/4885MET 460/4885KDR 922/4885

“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.