SCHEMBL7033276

SCHEMBL7033276

CC(C)OC(=O)c1scc(OC(F)F)c1S(=O)(=O)Cl

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
COMT P21964 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
MAPK8 P45983 1/20 0.30
MAPK9 P45984 1/20 0.30
MAPK10 P53779 1/20 0.30

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
SCHEMBL7034356 0.87 CA12 (0.37) ALDH1A1LMNAHPGDCOMTCA12
SCHEMBL7028123 0.86 KDM4E (0.39) LMNA
SCHEMBL7029160 0.85 PRKCI (0.38) ALDH1A1LMNAHPGDCOMTCA12
SCHEMBL7033130 0.83 ADORA2B (0.31) ALDH1A1LMNAHPGDCOMTCA12
SCHEMBL7032423 0.83 MAPT (0.40) ALDH1A1LMNA
SCHEMBL7472825 0.82 ALDH1A1 (0.30) ALDH1A1LMNAHPGD
SCHEMBL7030944 0.82
SCHEMBL7031620 0.81 ALDH1A1 (0.33) ALDH1A1LMNAHPGDCOMTCA12
SCHEMBL7031980 0.81 COMT (0.35) ALDH1A1LMNAHPGDCOMTCA12
SCHEMBL7030429 0.79 ALDH1A1 (0.38) ALDH1A1LMNAHPGDCOMTCA12

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 ALDH1A1 261/4885LMNA 4111/4885HPGD 1846/4885

“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.