SCHEMBL2078095

SCHEMBL2078095

CCCC(=O)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 4/20 0.44
CA2 P00918 1/20 0.43
TSHR P16473 1/20 0.42
ACLY P53396 1/20 0.42
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
CCR9 P51686 1/20 0.41
PTGS1 P23219 3/20 0.40
PTGS2 P35354 3/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
NOS2 P35228 1/20 0.39

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
SCHEMBL2076986 0.89 MRGPRX1 (0.46) MRGPRX1CA2ACLYGAACCR9
SCHEMBL2080327 0.83 CA2 (0.47) MRGPRX1CA2ACLYGAACCR9
SCHEMBL2080573 0.82 MRGPRX1 (0.40) MRGPRX1CA2ACLYCCR9PTGS1
SCHEMBL2080575 0.82 MRGPRX1 (0.40) MRGPRX1CA2ACLYCCR9PTGS1
SCHEMBL27241 0.81 ABL1 (0.47) MRGPRX1CA2ACLYCCR9PTGS1
SCHEMBL2080151 0.81 CA2 (0.45) MRGPRX1CA2ACLYCCR9PTGS1
SCHEMBL2081796 0.80 CA2 (0.44) MRGPRX1CA2ACLYGAACCR9
SCHEMBL2077137 0.80 PTGS1 (0.40) MRGPRX1CA2CCR9PTGS1PTGS2
SCHEMBL12778765 0.80 MRGPRX1 (0.38) MRGPRX1CA2CCR9PTGS1PTGS2
SCHEMBL2077135 0.80 PTGS1 (0.40) MRGPRX1CA2CCR9PTGS1PTGS2

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 7 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-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
EP-1799636-A2 CONTROL OF PARASITES IN ANIMALS BY THE USE OF NOVEL TRIFLUOROMETHANESULFONANILIDE OXIME ETHER DERIVATIVES Schering-Plough Ltd. (CH) 2007-06-27 EP disclosed
WO-2006034333-A2 CONTROL OF PARASITES IN ANIMALS BY THE USE OF NOVEL TRIFLUOROMETHANESULFONANILIDE OXIME ETHER DERIVATIVES SCHERING-PLOUGH LTD. (CH) 2006-03-30 WO 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 1347/4885CA2 2220/4885TSHR 1334/4885
US-20080262048-A1 CONTROL OF PARASITES IN ANIMALS BY THE USE OF NOVEL TRIFLUOROMETHANESULFONANILIDE OXIME ETHER DERIVATIVES TRHDE, EPX, EPHX1 MRGPRX1 1470/4885CA2 2298/4885TSHR 414/4885

“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.