SCHEMBL7030969

SCHEMBL7030969

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.42
NPC1 O15118 1/20 0.40
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA7 P43166 3/20 0.35
CA9 Q16790 3/20 0.35
CA14 Q9ULX7 3/20 0.35
HDAC8 Q9BY41 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
CTSS P25774 2/20 0.34
THRB P10828 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CTSK P43235 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KCNK3 O14649 1/20 0.32
KCNK9 Q9NPC2 1/20 0.32
MMP9 P14780 2/20 0.32
MMP1 P03956 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
SCHEMBL7030243 0.86 PDK2 (0.39) PDK2CA1CA2CA9LMNA
SCHEMBL7031725 0.84 NPC1 (0.43) PDK2NPC1CA12CA1CA2
SCHEMBL7033112 0.84 PDK2 (0.41) PDK2NPC1CA12CA1CA2
SCHEMBL7029811 0.83 KDM4E (0.46) PDK2LMNAKDM4ENPSR1
SCHEMBL7029099 0.83 NPC1 (0.44) PDK2NPC1CA12CA1CA2
SCHEMBL7023390 0.81 NPC1 (0.43) PDK2NPC1CA12CA1CA2
SCHEMBL7034505 0.81 NPC1 (0.43) PDK2NPC1CA12CA1CA2
SCHEMBL7025722 0.81 ALDH1A1 (0.46) PDK2LMNAKDM4E
SCHEMBL7031981 0.81 NPC1 (0.45) PDK2NPC1CA12CA1CA2
SCHEMBL7034566 0.81 NPC1 (0.45) 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 6 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
WO-1997016449-A1 SUBSTITUTED SULPHONYLAMINO (THIO)CARBONYL COMPOUNDS AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-05-09 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-20030162979-A1 Substituted sulphonylamino(thio)carbonyl compounds CBR3, CTH, CBR1 PDK2 2694/4885NPC1 1505/4885CA12 1571/4885

“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.