SCHEMBL17158160

SCHEMBL17158160

CS(=O)(=O)c1ccc(-c2cc(C3CC(C(F)(F)C(F)(F)F)=NN3c3ccc(F)cc3F)ccc2F)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.46
PTGS1 P23219 7/20 0.46
PDE5A O76074 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ACHE P22303 1/20 0.40
PRKCZ Q05513 1/20 0.37
KIF11 P52732 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
SCHEMBL17158123 0.87 PTGS2 (0.46) PTGS2PTGS1PDE5AKIF11
SCHEMBL17157746 0.85 PTGS2 (0.41) PTGS2PTGS1PDE5AKIF11
SCHEMBL17157873 0.85 PTGS2 (0.42) PTGS2PTGS1PDE5AKIF11
SCHEMBL17158056 0.84 PTGS2 (0.42) PTGS2PTGS1PDE5APRKCZ
SCHEMBL5693262 0.83 PTGS2 (0.59) PTGS2PTGS1PDE5APRKCZ
SCHEMBL17157966 0.82 PRKCZ (0.38) PDE5ACA1CA2ACHEPRKCZ
SCHEMBL17158134 0.81 PRKCZ (0.39) PDE5APRKCZ
SCHEMBL17157914 0.81 PTGS2 (0.44) PTGS2PTGS1PDE5APRKCZ
SCHEMBL17157632 0.81 PRKCZ (0.39) PDE5ACA1CA2ACHEPRKCZ
SCHEMBL17158037 0.81 PTGS2 (0.39) PTGS2PTGS1KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376420-B2 4,5-dihydro-1H-pyrazole derivative or salts thereof, and pharmaceutical composition comprising same YUHAN CORPORATION (KR) 2016-06-28 US claimed
US-20150291563-A1 4,5-DIHYDRO-1H-PYRAZOLE DERIVATIVE OR SALTS THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME YUHAN CORPORATION (KR) 2015-10-15 US claimed
US-9376420-B2 4,5-dihydro-1H-pyrazole derivative or salts thereof, and pharmaceutical composition comprising same YUHAN CORPORATION (KR) 2016-06-28 US disclosed
US-20150291563-A1 4,5-DIHYDRO-1H-PYRAZOLE DERIVATIVE OR SALTS THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME YUHAN CORPORATION (KR) 2015-10-15 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-20150291563-A1 4,5-DIHYDRO-1H-PYRAZOLE DERIVATIVE OR SALTS THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME NR1H3, NR1H2, NR1H4 PTGS2 1972/4885PTGS1 821/4885PDE5A 1152/4885

“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.