SCHEMBL3105042

SCHEMBL3105042

CSCn1cc(C(=O)NCc2ccc(C(F)(F)F)cc2)nn1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GLS O94925 16/20 0.52
DDT P30046 1/20 0.48
KLKB1 P03952 1/20 0.47
LSS P48449 1/20 0.47
TGM2 P21980 1/20 0.46

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
SCHEMBL3107534 0.87 DDT (0.62) GLSDDT
SCHEMBL3109412 0.85 GLS (0.57) GLS
SCHEMBL3113908 0.78 GLS (0.75) GLS
SCHEMBL18924693 0.72 KLKB1 (0.67) GLSKLKB1
SCHEMBL3105058 0.71 LSS (0.41) LSS
SCHEMBL31124008 0.71 GLS (0.47) GLSKLKB1
SCHEMBL24208576 0.71 TGM2 (0.61) TGM2
SCHEMBL17420044 0.70 GLS (0.80) GLS
SCHEMBL21907519 0.70 GLS (0.69) GLSDDT
SCHEMBL24208572 0.70 TGM2 (0.66) TGM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 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-20090105253-A1 Triazole Derivative and Use Thereof F2R, HRH4, F2RL3 GLS 2923/4885DDT 4203/4885KLKB1 936/4885

“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.