SCHEMBL2080573

SCHEMBL2080573

CCC/C(=N\OCC)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 6/20 0.40
PTGS1 P23219 4/20 0.38
PTGS2 P35354 3/20 0.38
CA2 P00918 1/20 0.38
CCR9 P51686 1/20 0.36
ACLY P53396 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL2080575 1.00 MRGPRX1 (0.40) MRGPRX1PTGS1PTGS2CA2CCR9
SCHEMBL12778411 0.91 MRGPRX1 (0.41) MRGPRX1PTGS1PTGS2CA2CCR9
SCHEMBL12778532 0.91 MRGPRX1 (0.37) MRGPRX1PTGS1PTGS2CA2CCR9
SCHEMBL12778514 0.89 CYP3A4 (0.39) MRGPRX1PTGS1PTGS2CA2CCR9
SCHEMBL2077137 0.88 PTGS1 (0.40) MRGPRX1PTGS1PTGS2CA2CCR9
SCHEMBL12778765 0.88 MRGPRX1 (0.38) MRGPRX1PTGS1PTGS2CA2CCR9
SCHEMBL2077135 0.88 PTGS1 (0.40) MRGPRX1PTGS1PTGS2CA2CCR9
SCHEMBL12778518 0.87 MRGPRX1 (0.35) MRGPRX1PTGS1PTGS2CA2CCR9
SCHEMBL12778516 0.87 PTGS1 (0.35) MRGPRX1PTGS1PTGS2CA2CCR9
SCHEMBL12778502 0.87 CCR9 (0.39) MRGPRX1CCR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906538-B2 Parasiticides; nematocides; crop protection SCHERING-PLOUGH ANIMAL HEALTH CORPORATION (US) 2011-03-15 US disclosed
US-7906538-B2 Parasiticides; nematocides; crop protection SCHERING-PLOUGH ANIMAL HEALTH CORPORATION (US) 2011-03-15 US disclosed
US-20080262048-A1 CONTROL OF PARASITES IN ANIMALS BY THE USE OF NOVEL TRIFLUOROMETHANESULFONANILIDE OXIME ETHER DERIVATIVES SCHERING-PLOUGH ANIMAL HEALTH CORPORATION 2008-10-23 US disclosed
US-20080262048-A1 CONTROL OF PARASITES IN ANIMALS BY THE USE OF NOVEL TRIFLUOROMETHANESULFONANILIDE OXIME ETHER DERIVATIVES SCHERING-PLOUGH ANIMAL HEALTH CORPORATION 2008-10-23 US disclosed
EP-1799636-B1 CONTROL OF PARASITES IN ANIMALS BY THE USE OF NOVEL TRIFLUOROMETHANESULFONANILIDE OXIME ETHER DERIVATIVES SCHERING PLOUGH LTD (CH) 2008-08-27 EP disclosed
US-7312248-B2 Control of parasites in animals by the use of novel trifluoromethanesulfonanilide oxime ether derivatives SCHERING-PLOUGH ANIMAL HEALTH CORPORATION (US) 2007-12-25 US disclosed
US-7312248-B2 Control of parasites in animals by the use of novel trifluoromethanesulfonanilide oxime ether derivatives SCHERING-PLOUGH ANIMAL HEALTH CORPORATION (US) 2007-12-25 US disclosed
US-7312248-B2 Control of parasites in animals by the use of novel trifluoromethanesulfonanilide oxime ether derivatives SCHERING-PLOUGH ANIMAL HEALTH CORPORATION (US) 2007-12-25 US disclosed
US-20060063841-A1 Parasiticides; nematocides; crop protection SCHERING-PLOUGH LTD. (CH) 2006-03-23 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 (2 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-20060063841-A1 Parasiticides; nematocides; crop protection TRHDE, DDT, EPHX1 MRGPRX1 1347/4885PTGS1 1332/4885PTGS2 1406/4885
US-20080262048-A1 CONTROL OF PARASITES IN ANIMALS BY THE USE OF NOVEL TRIFLUOROMETHANESULFONANILIDE OXIME ETHER DERIVATIVES TRHDE, EPX, EPHX1 MRGPRX1 1470/4885PTGS1 1610/4885PTGS2 1554/4885

“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.