SCHEMBL2006935

SCHEMBL2006935

NC(CCl)=NS(=O)(=O)c1cccc(C(=O)C(C(=O)c2cc(F)cc(F)c2)=C2Nc3ccccc3N2)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.39
PRSS1 P07477 4/20 0.39
PRSS2 P07478 4/20 0.39
PRSS3 P35030 4/20 0.39
AKR1C3 P42330 1/20 0.31
KMT2A Q03164 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
MAPT P10636 2/20 0.30
GAA P10253 1/20 0.30
KAT6A Q92794 1/20 0.30
CYP19A1 P11511 1/20 0.30

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
SCHEMBL2007836 0.91 F2 (0.40) F2PRSS1PRSS2PRSS3AKR1C3
SCHEMBL2007971 0.88 F2 (0.37) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL2009836 0.85 F2 (0.40) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL2008662 0.84 F2 (0.41) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL2006954 0.82 KMT2A (0.41) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL2006952 0.82 KMT2A (0.41) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL2014079 0.81 CA2 (0.39) KMT2ACES2CES1MAPTGAA
SCHEMBL2007472 0.81 CES2 (0.38) KMT2ACES2CES1MAPTGAA
SCHEMBL2008403 0.81 KAT6A (0.37) F2PRSS1PRSS2PRSS3AKR1C3
SCHEMBL2007676 0.81 F2 (0.36) F2PRSS1PRSS2PRSS3KMT2A

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
EP-1864976-B1 PROPANE-1,3-DION DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2012-10-10 EP disclosed
US-7960562-B2 Propane-1,3-dione derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-06-14 US disclosed
US-20090181964-A1 Propane-1,3-Dione Derivative or Salt Thereof ASTELLAS PHARMA INC. 2009-07-16 US disclosed
EP-1864976-A1 PROPANE-1,3-DION DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2007-12-12 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 (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-20090181964-A1 Propane-1,3-Dione Derivative or Salt Thereof GNRHR, KISS1R, FSHR F2 1765/4885PRSS1 802/4885PRSS2 1576/4885

“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.