SCHEMBL17067290

SCHEMBL17067290

CN(CC(F)(F)F)C(=O)C(=O)N(C)c1cccc(C(=O)Nc2c(Br)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2C(F)(F)F)c1F

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
PTGES O14684 7/20 0.33
F2R P25116 2/20 0.33
CTSS P25774 1/20 0.32
RXFP1 Q9HBX9 2/20 0.32
UGCG Q16739 1/20 0.32
KCNK3 O14649 2/20 0.31
KCNK9 Q9NPC2 2/20 0.31
TACR1 P25103 1/20 0.31
PTGS1 P23219 1/20 0.31
P2RX1 P51575 1/20 0.31
P2RX7 Q99572 1/20 0.31

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
SCHEMBL17067337 0.90 PTGES (0.33) PTGESF2RCTSSRXFP1UGCG
SCHEMBL17067318 0.90 CTSS (0.34) PTGESF2RCTSSRXFP1UGCG
SCHEMBL17067285 0.86 SMN1; SMN2 (0.38) SMN1; SMN2PTGESF2RRXFP1
SCHEMBL17067330 0.86 DHODH (0.34) F2RRXFP1UGCGKCNK3KCNK9
SCHEMBL29361693 0.85 MEN1 (0.39) SMN1; SMN2PTGESRXFP1KCNK3KCNK9
SCHEMBL1766704 0.85 PTGES (0.36) SMN1; SMN2PTGESCTSSRXFP1PTGS1
SCHEMBL29733643 0.85 MEN1 (0.39) SMN1; SMN2PTGESRXFP1KCNK3KCNK9
SCHEMBL1766891 0.85 MEN1 (0.39) SMN1; SMN2PTGESRXFP1KCNK3KCNK9
SCHEMBL29427851 0.85 MEN1 (0.39) SMN1; SMN2PTGESRXFP1KCNK3KCNK9
SCHEMBL22365194 0.85 TACR1 (0.39) SMN1; SMN2PTGESCTSSRXFP1KCNK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9381174-B2 Composition and method for exterminating animal parasite MITSUI CHEMICALS AGRO, INC. (JP) 2016-07-05 US disclosed
US-20150297541-A1 COMPOSITION AND METHOD FOR EXTERMINATING ANIMAL PARASITE MITSUI CHEMICALS AGRO, INC. (JP) 2015-10-22 US disclosed
EP-2915530-A1 COMPOSITION FOR ANIMAL PARASITE EXTERMINATION AND METHOD FOR ANIMAL PARASITE EXTERMINATION Mitsui Chemicals Agro, Inc. (JP) 2015-09-09 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-20150297541-A1 COMPOSITION AND METHOD FOR EXTERMINATING ANIMAL PARASITE HDHD5, H1-3, TUBA3C SMN1; SMN2 4723/4885PTGES 4131/4885F2R 1758/4885

“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.