SCHEMBL3606545

SCHEMBL3606545

CCOc1cccc(C(F)(F)F)c1S(=O)(=O)N=C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
AR P10275 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
CTSS P25774 2/20 0.36
TRPA1 O75762 1/20 0.36
PDK2 Q15119 1/20 0.35
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
HPGD P15428 1/20 0.33
GRM5 P41594 1/20 0.33
CTSK P43235 1/20 0.32
NFE2L2 Q16236 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32

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
SCHEMBL3606936 0.81 MAPT (0.36) L3MBTL1KDM4EKMT2AHPGDALDH1A1
SCHEMBL8764071 0.79 KCNK3 (0.44) KCNK3KCNK9ARL3MBTL1CTSS
SCHEMBL7029811 0.78 KDM4E (0.46) PDK2KDM4EKMT2AALDH1A1HSD17B10
SCHEMBL10735199 0.76 ALDH1A1 (0.41) L3MBTL1ALDH1A1CA12CA1CA2
SCHEMBL38661865 0.76 ALDH1A1 (0.41) L3MBTL1ALDH1A1CA12CA1CA2
SCHEMBL6545206 0.74 S1PR1 (0.33) ARKMT2AMRGPRX4
SCHEMBL7025722 0.73 ALDH1A1 (0.46) L3MBTL1PDK2KDM4EALDH1A1HSD17B10
SCHEMBL13345675 0.73 KCNK3 (0.44) KCNK3KCNK9ARL3MBTL1CTSS
SCHEMBL7030243 0.73 PDK2 (0.39) CTSSPDK2KDM4EKMT2ACA1
SCHEMBL8854436 0.72 KCNK3 (0.39) KCNK3KCNK9ARL3MBTL1CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723266-B2 Substituted aryl sulphony(thio)ureas used as herbicides BAYER AKTIENGESELLSCHAFT (DE) 2010-05-25 US disclosed
US-7723266-B2 Substituted aryl sulphony(thio)ureas used as herbicides BAYER AKTIENGESELLSCHAFT (DE) 2010-05-25 US disclosed
EP-0885200-B1 SUBSTITUTED ARYL SULPHONYL(THIO)UREAS USED AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2008-05-21 EP disclosed
EP-1683789-A1 Substituted arylsulfonyl(thio)ureas as herbicides Bayer CropScience AG (DE) 2006-07-26 EP disclosed
US-20050004123-A1 Substituted aryl sulphonyl(thio)ureas used as herbicides BAYER AG (DE) 2005-01-06 US disclosed
US-6838414-B2 Substituted aryl sulphonyl(thio)ureas used as herbicides BAYER AKTIENGESELLSCHAFT (DE) 2005-01-04 US disclosed
US-20030153463-A1 Substituted aryl sulphonyl(thio)ureas GESING ERNST RUDOLF F (DE) 2003-08-14 US disclosed
US-6451737-B1 N-(4,6-DIMETHYL-PYRIMIDIN-2-YL)-N'-(2-METHOXY-6-TRIFLUOROMETHY L-PHENYLSULPHONYL)-UREA BAYER AKTIENGESELLSCHAFT (DE) 2002-09-17 US disclosed
EP-0885200-A1 SUBSTITUTED ARYL SULPHONYL(THIO)UREAS USED AS HERBICIDES BAYER AG (DE) 1998-12-23 EP disclosed
WO-1997032861-A1 SUBSTITUTED ARYL SULPHONYL(THIO)UREAS USED AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-09-12 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 (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-20030153463-A1 Substituted aryl sulphonyl(thio)ureas TST, DDT, CBR3 KCNK3 965/4885KCNK9 2007/4885AR 3382/4885
US-20050004123-A1 Substituted aryl sulphonyl(thio)ureas used as herbicides DDT, CBR3, TST KCNK3 1288/4885KCNK9 2491/4885AR 3099/4885

“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.