SCHEMBL515171

SCHEMBL515171

CS(=O)(=O)c1ccc2c(c1)CCCN2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.71
CA1 P00915 2/20 0.71
CA2 P00918 2/20 0.71
CA9 Q16790 1/20 0.71
MAPT P10636 3/20 0.53
PNMT P11086 3/20 0.51
KDM4E B2RXH2 2/20 0.51
GAA P10253 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
THRB P10828 1/20 0.48
ALOX15 P16050 1/20 0.48
CASP1 P29466 1/20 0.48
HTT P42858 1/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GFER P55789 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL514685 0.90 PNMT (0.58) CA12CA1CA2CA9MAPT
SCHEMBL17785623 0.87 GFER (0.56) CA12CA1CA2CA9MAPT
SCHEMBL31231831 0.83 CA1 (1.00) CA12CA1CA2CA9MAPT
SCHEMBL4162141 0.83 CA1 (1.00) CA12CA1CA2CA9MAPT
SCHEMBL9236433 0.83 CA12 (0.71) CA12CA1CA2CA9MAPT
SCHEMBL3362013 0.83 CA12 (0.71) CA12CA1CA2CA9MAPT
SCHEMBL15907913 0.83 CA12 (0.66) CA12CA1CA2CA9MAPT
SCHEMBL15711291 0.80 CA12 (0.70) CA12CA1CA2CA9MAPT
SCHEMBL17117276 0.79 CA12 (0.61) CA12CA1CA2CA9MAPT
SCHEMBL6221203 0.79 CA1 (0.91) CA12CA1CA2CA9MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014078813-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2014-05-22 WO disclosed
US-8410089-B2 Fused heterocyclic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-02 US disclosed
US-20120245344-A1 GPR119 AGONIST NIPPON CHEMIPHAR CO., LTD. (JP) 2012-09-27 US disclosed
EP-2474540-A1 GPR119 AGONIST Nippon Chemiphar Co., Ltd. (JP) 2012-07-11 EP disclosed
US-20120028962-A1 FUSED HETEROCYCLIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-02 US disclosed
EP-2399914-A1 FUSED HETEROCYCLIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-12-28 EP 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 (2 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-20120028962-A1 FUSED HETEROCYCLIC RING COMPOUND GPR119, GPR4, GPR84 CA12 2354/4885CA1 1857/4885CA2 1371/4885
US-20120245344-A1 GPR119 AGONIST GPR119, GPR4, GPR55 CA12 3630/4885CA1 4098/4885CA2 1725/4885

“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.