SCHEMBL7030558

SCHEMBL7030558

CCCOC(=O)c1scc(Br)c1S(=O)(=O)N=C=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ESR1 P03372 3/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 3/20 0.33
STS P08842 1/20 0.33
COMT P21964 1/20 0.33
HPGD P15428 1/20 0.33
MAPT P10636 4/20 0.33
CHRM1 P11229 1/20 0.33
TSHR P16473 1/20 0.33
SLC6A2 P23975 1/20 0.33
KDR P35968 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32
THRB P10828 1/20 0.31
MAPK14 Q16539 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
SCHEMBL7031410 0.90 MAPT (0.39) LMNAMAPTTSHRKDM4EKMT2A
SCHEMBL7034620 0.88 MAPT (0.38) CA12CA1CA2CA9ESR1
SCHEMBL7031237 0.88 MAPT (0.35) CA12CA1CA2CA9ESR1
SCHEMBL7031465 0.88 ALDH1A1 (0.34) CA12CA1CA2CA9ESR1
SCHEMBL7031788 0.86 COMT (0.34) CA12CA1CA2CA9ESR1
SCHEMBL7031727 0.85 POLB (0.37) CA12CA1CA2CA9ALDH1A1
SCHEMBL7027558 0.84 ALDH1A1 (0.32) CA12CA1CA2CA9ESR1
SCHEMBL7033453 0.83 LMNA (0.31) CA12CA1CA2CA9ESR1
SCHEMBL7025631 0.83 KDM4E (0.40) LMNAMAPTKDM4EKMT2ATP53
SCHEMBL7032599 0.82 LMNA (0.31) CA12CA1CA2CA9ALDH1A1

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 CA12 1571/4885CA1 1037/4885CA2 248/4885

“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.