SCHEMBL7033439

SCHEMBL7033439

CC(C)OC(=O)c1cc(Br)cs1.O=C=NS(=O)(=O)N=C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
ALDH1A1 P00352 6/20 0.35
LMNA P02545 1/20 0.35
GSK3B P49841 1/20 0.35
MAPT P10636 5/20 0.34
MAPK1 P28482 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
MELK Q14680 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
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 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
SCHEMBL7025330 0.87 DAO (0.41) ALDH1A1LMNAMAPTMAPK1NPSR1
SCHEMBL7024257 0.86 CA12 (0.32) MAPTNPSR1CA12CA1CA2
SCHEMBL7033124 0.86 MELK (0.33) MAPTNPSR1MELKCA12CA1
SCHEMBL7025639 0.85 CES2 (0.42) CES2CES1ALDH1A1LMNAGSK3B
SCHEMBL7029049 0.85 MEN1 (0.34) ALDH1A1LMNAMAPTMAPK1HSD17B10
SCHEMBL7031595 0.85 HPGD (0.35) ALDH1A1MAPTMAPK1NPSR1HSD17B10
SCHEMBL7032161 0.84 CA12 (0.31) CA12CA1CA2CA9CA7
SCHEMBL7028004 0.83 TRPA1 (0.30) CA12CA1CA2CA9CA7
SCHEMBL7030226 0.82 ABL1 (0.34)
SCHEMBL7030948 0.82

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 CES2 275/4885CES1 659/4885ALDH1A1 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.