SCHEMBL7033112

SCHEMBL7033112

CC(C)OC(=O)c1cccc(OC(F)(F)F)c1S(=O)(=O)N=C=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.41
KCNK3 O14649 4/20 0.40
KCNK9 Q9NPC2 4/20 0.40
NPC1 O15118 1/20 0.39
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA7 P43166 3/20 0.34
CA9 Q16790 3/20 0.34
CA14 Q9ULX7 3/20 0.34
RXFP1 Q9HBX9 1/20 0.34
F2R P25116 1/20 0.34
CACNA1B Q00975 2/20 0.33
CETP P11597 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HDAC8 Q9BY41 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
SCHEMBL7031859 0.87 KCNK3 (0.41) PDK2KCNK3KCNK9CA1CA2
SCHEMBL7035071 0.86 NPC1 (0.42) PDK2KCNK3KCNK9NPC1CA12
SCHEMBL7025987 0.85 NPC1 (0.40) PDK2NPC1CA12CA1CA2
SCHEMBL7029820 0.84 TSHR (0.41) PDK2KCNK3KCNK9F2RHCRTR1
SCHEMBL7030969 0.84 PDK2 (0.42) PDK2KCNK3KCNK9NPC1CA12
SCHEMBL7029920 0.82 ALDH1A1 (0.44) PDK2KCNK3KCNK9RXFP1F2R
SCHEMBL7025649 0.82 KCNK3 (0.44) PDK2KCNK3KCNK9NPC1CA12
SCHEMBL7031401 0.82 KCNK3 (0.44) PDK2KCNK3KCNK9NPC1CA12
SCHEMBL7031725 0.82 NPC1 (0.43) PDK2NPC1CA12CA1CA2
SCHEMBL7029099 0.81 NPC1 (0.44) PDK2NPC1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030162979-A1 Substituted sulphonylamino(thio)carbonyl compounds MULLER KLAUS-HELMUT (DE) 2003-08-28 US disclosed
US-6441195-B1 2-ALKOXYCARBONYL-3-SULPHONAMIDE, SULPHONYL ISOCYANATE OR SULPHONYL ISOTHIOCYANATE-THIOPHENES; PRE- OR POSTEMERGENCE HERBICIDES; EFFICIENCY BAYER AKTIENGESELLSCHAFT (DE) 2002-08-27 US disclosed
EP-0859774-B1 SUBSTITUTED SULPHONYLAMINO (THIO)CARBONYL COMPOUNDS AS HERBICIDES BAYER AG (DE) 2002-04-03 EP disclosed
US-6180567-B1 REACTING 2-ALKOXYCARBONYL-BENZENESULFONAMIDE DERIVATIVE WITH 1,2,4-(1H)TRIAZOLE-5-(THI)ONE DERIVATIVE BAYER AKTIENGESELLSCHAFT (DE) 2001-01-30 US disclosed
EP-0859774-A1 SUBSTITUTED SULPHONYLAMINO (THIO)CARBONYL COMPOUNDS AS HERBICIDES BAYER AG (DE) 1998-08-26 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-20030162979-A1 Substituted sulphonylamino(thio)carbonyl compounds CBR3, CTH, CBR1 PDK2 2694/4885KCNK3 906/4885KCNK9 1667/4885

“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.