SCHEMBL7033464

SCHEMBL7033464

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
CA2 P00918 7/20 0.42
CA1 P00915 6/20 0.42
CA9 Q16790 6/20 0.42
CA12 O43570 5/20 0.42
CA7 P43166 3/20 0.42
CA14 Q9ULX7 3/20 0.42
IRAK4 Q9NWZ3 1/20 0.39
PDK2 Q15119 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
NR1I2 O75469 1/20 0.36
CA5A P35218 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 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

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
SCHEMBL7026481 0.87 NPC1 (0.44) NPC1CA2CA1CA9CA12
SCHEMBL7031068 0.86 CA1 (0.50) CA2CA1CA9CA12NR1I2
SCHEMBL7462329 0.85 NPC1 (0.47) NPC1CA2CA1CA9CA12
SCHEMBL7027360 0.83 TSHR (0.46) CA2CA1CA9CA12CA7
SCHEMBL7025649 0.83 KCNK3 (0.44) NPC1CA2CA1CA9CA12
SCHEMBL7025987 0.82 NPC1 (0.40) NPC1CA2CA1CA9CA12
SCHEMBL7033259 0.81 ALDH1A1 (0.49) PDK2SMN1; SMN2LMNA
SCHEMBL7029586 0.81 NPC1 (0.48) NPC1CA2CA1CA9CA12
SCHEMBL7031474 0.79 NPC1 (0.49) NPC1CA2CA1CA9CA12
SCHEMBL7031078 0.79 NPC1 (0.49) NPC1CA2CA1CA9CA12

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 4 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

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 1505/4885CA2 248/4885CA1 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.