SCHEMBL7031980

SCHEMBL7031980

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.35
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
PTPN11 Q06124 1/20 0.33
CA12 O43570 5/20 0.33
CA1 P00915 5/20 0.33
CA2 P00918 5/20 0.33
CA9 Q16790 5/20 0.33
CA7 P43166 4/20 0.33
CA14 Q9ULX7 4/20 0.33
THRB P10828 3/20 0.32
MAPT P10636 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 2/20 0.31
POLB P06746 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
SCHEMBL7030863 0.87 CA12 (0.41) COMTLMNAALDH1A1HPGDPTPN11
SCHEMBL7032445 0.84 CA12 (0.36) COMTLMNAALDH1A1HPGDCA12
SCHEMBL7030429 0.84 ALDH1A1 (0.38) COMTLMNAALDH1A1HPGDCA12
SCHEMBL7031174 0.84 COMT (0.36) COMTLMNAALDH1A1HPGDCA12
SCHEMBL7034000 0.83 KDM4E (0.43) LMNAALDH1A1HPGDTHRBMAPT
SCHEMBL7027264 0.82 ADORA2B (0.34) COMTLMNAALDH1A1HPGDCA12
SCHEMBL7023383 0.81 MAPK8 (0.34) COMTLMNAALDH1A1HPGDCA12
SCHEMBL7029160 0.81 PRKCI (0.38) COMTLMNAALDH1A1HPGDCA12
SCHEMBL7033276 0.81 ALDH1A1 (0.31) COMTLMNAALDH1A1HPGDCA12
SCHEMBL7024254 0.81 LMNA (0.31) COMTLMNAALDH1A1HPGDPTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1232505-C Substituted sulfonamido (thio) carbonyl compounds BAYER AG (DE) 2005-12-21 CN disclosed
CN-1439631-A Substituted sulfonamido (thio) carbonyl compounds BAYER AG (DE) 2003-09-03 CN disclosed
US-20030162979-A1 Substituted sulphonylamino(thio)carbonyl compounds MULLER KLAUS-HELMUT (DE) 2003-08-28 US disclosed
CN-1105717-C Substituted sulfonamido (thio) carbonyl compounds BAYER AG (DE) 2003-04-16 CN 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
CN-1207099-A Substituted sulfonamido (thio) carbonyl compounds BAYER AG (DE) 1999-02-03 CN 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 COMT 1808/4885LMNA 4111/4885ALDH1A1 261/4885

“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.