SCHEMBL6135839

SCHEMBL6135839

CN(C)CCOc1cc(C(N)=O)ccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.49
THRB P10828 3/20 0.49
UTS2R Q9UKP6 2/20 0.46
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
MAPK1 P28482 2/20 0.43
GAA P10253 1/20 0.43
CHEK2 O96017 1/20 0.42
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
S1PR1 P21453 1/20 0.41
MAOB P27338 1/20 0.40
RBP4 P02753 1/20 0.40
PHLPP2 Q6ZVD8 1/20 0.40
KDR P35968 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 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
SCHEMBL6542638 0.80 THRA (0.46) THRATHRBKDM4EALDH1A1MAPK1
SCHEMBL6135165 0.80 KDM4E (0.48) THRATHRBUTS2RKDM4EALDH1A1
SCHEMBL4371624 0.79 UTS2R (0.47) THRATHRBUTS2RKDM4EALDH1A1
SCHEMBL30806945 0.76 THRA (0.61) THRATHRBUTS2RKDM4EALDH1A1
SCHEMBL27195845 0.75 THRA (0.60) THRATHRBUTS2RKDM4EALDH1A1
Lithium Ion SCHEMBL27195884 0.75 THRA (0.60) THRATHRBUTS2RKDM4EALDH1A1
SCHEMBL4376891 0.75 CHRNB2 (0.56) THRATHRBUTS2RKDM4EALDH1A1
SCHEMBL477870 0.74 SLC6A9 (0.52) THRATHRBKDM4EALDH1A1MAPK1
SCHEMBL3018123 0.72 PARP10 (0.62) THRATHRBKDM4EALDH1A1SLC6A2
SCHEMBL12130271 0.72 AURKA (0.47) KDM4EALDH1A1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385495-A4 SULFONAMIDES SMITHKLINE BEECHAM CORP (US) 2005-12-21 EP claimed
US-20050043536-A1 antagonists of urotensin II; for example, 2,6-Dichloro-N-[3-(dimethylamino-ethoxy)4-trifluoromethyl-phenyl]-4trifluoromethyl-benzenesulfonamide SMITHKLINE BEECHAM CORPORATION 2005-02-24 US claimed
EP-1385495-A2 SULFONAMIDES SmithKline Beecham Corporation (US) 2004-02-04 EP claimed
WO-2002089740-A2 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2002-11-14 WO claimed
EP-1385495-A4 SULFONAMIDES SMITHKLINE BEECHAM CORP (US) 2005-12-21 EP disclosed
US-20050043536-A1 antagonists of urotensin II; for example, 2,6-Dichloro-N-[3-(dimethylamino-ethoxy)4-trifluoromethyl-phenyl]-4trifluoromethyl-benzenesulfonamide SMITHKLINE BEECHAM CORPORATION 2005-02-24 US disclosed
EP-1385495-A2 SULFONAMIDES SmithKline Beecham Corporation (US) 2004-02-04 EP disclosed
WO-2002089740-A2 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2002-11-14 WO 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-20050043536-A1 antagonists of urotensin II; for example, 2,6-Dichloro-N-[3-(dimethylamino-ethoxy)4-trifluoromethyl-phenyl]-4trifluoromethyl-benzenesulfonamide UTS2R, SPINT2, PRSS2 THRA 2150/4885THRB 1820/4885UTS2R 1/4885

“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.