SCHEMBL7026481

SCHEMBL7026481

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA7 P43166 3/20 0.39
CA9 Q16790 3/20 0.39
CA14 Q9ULX7 3/20 0.39
PDK2 Q15119 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
LMNA P02545 5/20 0.35
MAPT P10636 5/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP12 P39900 1/20 0.35
CYP11B1 P15538 1/20 0.34
ALDH1A1 P00352 5/20 0.34
HTT P42858 3/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL7033464 0.87 NPC1 (0.44) NPC1CA12CA1CA2CA7
SCHEMBL7026606 0.86 L3MBTL1 (0.43) CA1CA2CA9SMN1; SMN2LMNA
SCHEMBL7034561 0.85 NPC1 (0.47) NPC1CA12CA1CA2CA7
SCHEMBL7031401 0.83 KCNK3 (0.44) NPC1CA12CA1CA2CA7
SCHEMBL7025947 0.83 TSHR (0.46) CA12CA1CA2CA7CA9
SCHEMBL7025987 0.82 NPC1 (0.40) NPC1CA12CA1CA2CA7
SCHEMBL7034914 0.81 ALDH1A1 (0.49) PDK2SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL7027986 0.81 NPC1 (0.48) NPC1CA12CA1CA2CA7
SCHEMBL7030891 0.79 NPC1 (0.49) NPC1CA12CA1CA2CA7
SCHEMBL7033378 0.79 NPC1 (0.49) NPC1CA12CA1CA2CA7

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 3 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
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

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 NPC1 1505/4885CA12 1571/4885CA1 1037/4885

“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.