SCHEMBL7983978

SCHEMBL7983978

CNC(=O)c1ncsc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.40
PLK1 P53350 1/20 0.39
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CG P48736 1/20 0.36
KMT2A Q03164 1/20 0.35
HDAC4 P56524 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL16637166 0.82 HDAC4 (0.44) HDAC4HDAC6
SCHEMBL5114983 0.80 ALDH1A1 (0.34) POLBPKMKMT2AALDH1A1
SCHEMBL16637048 0.79 NPSR1 (0.41) CFTRPKMKMT2AALDH1A1
SCHEMBL5117622 0.78 KDM4E (0.46) PKM
SCHEMBL27715188 0.76 PKM (0.31) PKMKMT2A
SCHEMBL13485303 0.74 NAMPT (0.53) POLBPKM
SCHEMBL1231822 0.73 CFTR (0.36) CFTRPKMHDAC6
SCHEMBL18337793 0.73 CFTR (0.36) CFTRPKMPIK3CDPIK3CAPIK3CG
SCHEMBL23366909 0.72 CYP1A2 (0.32)
SCHEMBL7983969 0.72 NTRK1 (0.41) CFTRPLK1POLBPKMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
WO-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 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-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF HSD11B1, HSD11B2, HSD3B1 CFTR 3393/4885PLK1 4475/4885POLB 2414/4885

“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.