SCHEMBL7033859

SCHEMBL7033859

CCCOC(=O)c1scc(Br)c1S(=O)(=O)Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.38
ALDH1A1 P00352 3/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
COMT P21964 1/20 0.38
LMNA P02545 3/20 0.37
STS P08842 1/20 0.37
CHRM1 P11229 1/20 0.36
TSHR P16473 1/20 0.36
SLC6A2 P23975 1/20 0.36
KDR P35968 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 5/20 0.36
HPGD P15428 1/20 0.36
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 1/20 0.35
GSK3B P49841 1/20 0.34
THRB P10828 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
SCHEMBL7034512 0.88 MAPT (0.42) ALDH1A1LMNAMAPTKDM4EKMT2A
SCHEMBL7029337 0.87 CA2 (0.46) ESR1ALDH1A1CA12CA1CA2
SCHEMBL7024185 0.86 ALDH1A1 (0.38) ESR1ALDH1A1CA12CA1CA2
SCHEMBL7033508 0.86 ALDH1A1 (0.38) ESR1ALDH1A1CA12CA1CA2
SCHEMBL7034444 0.86 MAPT (0.39) ESR1ALDH1A1CA12CA1CA2
SCHEMBL7025064 0.84 MAPT (0.40) ESR1ALDH1A1CA12CA1CA2
SCHEMBL7031921 0.83 POLB (0.41) ESR1ALDH1A1LMNASTSCHRM1
SCHEMBL7027002 0.82 ALDH1A1 (0.36) ESR1ALDH1A1CA12CA1CA2
SCHEMBL7024695 0.81 ALDH1A1 (0.35) ESR1ALDH1A1CA12CA1CA2
SCHEMBL7469073 0.81 STS (0.38) ESR1ALDH1A1CA12CA1CA2

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 ESR1 3981/4885ALDH1A1 261/4885CA12 1571/4885

“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.