SCHEMBL7025639

SCHEMBL7025639

COC(=O)c1cc(Br)cs1.O=C=NS(=O)(=O)N=C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 3/20 0.41
CTPS1 P17812 1/20 0.40
GSK3B P49841 1/20 0.37
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
PRKCZ Q05513 1/20 0.33
MELK Q14680 1/20 0.32
KDM4E B2RXH2 2/20 0.32

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
SCHEMBL7030970 0.86 DAO (0.47) NPSR1MAPTHSD17B10LMNACTPS1
SCHEMBL7033439 0.85 CES2 (0.39) CES2CES1ALDH1A1NPSR1MAPT
SCHEMBL7031415 0.85 CES2 (0.39) CES2CES1ALDH1A1NPSR1MAPT
SCHEMBL7031481 0.84 CTPS1 (0.39) ALDH1A1NPSR1MAPTMAPK1HSD17B10
SCHEMBL7026719 0.84 CTPS1 (0.44) ALDH1A1NPSR1MAPTLMNACTPS1
SCHEMBL7029419 0.84 CTPS1 (0.39) ALDH1A1NPSR1MAPTMAPK1LMNA
SCHEMBL7030181 0.83 CTPS1 (0.38) ALDH1A1NPSR1MAPTMAPK1CASP1
SCHEMBL1529765 0.83 CES2 (0.59) CES2CES1ALDH1A1NPSR1MAPT
SCHEMBL7035183 0.82 CTPS1 (0.38) ALDH1A1NPSR1MAPTMAPK1LMNA
SCHEMBL7032651 0.81 CTPS1 (0.37) ALDH1A1NPSR1MAPTMAPK1LMNA

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.