SCHEMBL688262

SCHEMBL688262

CCOC(=O)Cc1n[nH]c(S)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
LMNA P02545 1/20 0.43
HSD17B10 Q99714 3/20 0.42
PKM P14618 1/20 0.42
ATM Q13315 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.40
HPGD P15428 1/20 0.39
PDE4D Q08499 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 2/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36

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
SCHEMBL11532768 0.98 CA12 (0.51) CA12CA1CA2CA9LMNA
SCHEMBL689848 0.84 MAPT (0.42) CA12CA1CA2CA9LMNA
SCHEMBL11532222 0.77 KDM4E (0.35) LMNAKDM4EKMT2AGAA
SCHEMBL11533740 0.75 GAA (0.32) GAA
SCHEMBL873891 0.73 LMNA (0.57) CA12CA1CA2CA9LMNA
SCHEMBL16154002 0.73 LMNA (0.60) CA12CA1CA2CA9LMNA
SCHEMBL11431099 0.72 PDE4D (0.47) LMNAHSD17B10KDM4EALDH1A1SMN1; SMN2
SCHEMBL16154003 0.71 RAB9A (0.46) CA12CA1CA2CA9LMNA
SCHEMBL689390 0.70 CA12 (0.57) CA12CA1CA2CA9LMNA
SCHEMBL1781507 0.69 CA12 (1.00) CA12CA1CA2CA9LMNA

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
EP-1953148-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-02-29 EP disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 US disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 US disclosed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
EP-1953148-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-08-06 EP disclosed
US-4142046-A BACTERICIDES, 7-AMINO-CEPHALOSPORINS SMITHKLINE CORPORATION (US) 1979-02-27 US disclosed
US-4060610-A Pharmaceutical compositions comprising 7-acyl-3-(substituted triazolyl thiomethyl)-cephalosporins and methods of treating bacterial infections SMITHKLINE CORPORATION (US) 1977-11-29 US disclosed
US-3989694-A ANTIBACTERIAL SMITHKLINE CORPORATION (US) 1976-11-02 US 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-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF MMP2, MMP9, MMP1 CA12 560/4885CA1 401/4885CA2 497/4885

“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.