SCHEMBL7029930

SCHEMBL7029930

CCCOC(=O)c1cccc(C)c1S(=O)(=O)N=C=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
TSHR P16473 7/20 0.41
TDP1 Q9NUW8 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 3/20 0.40
CYP3A4 P08684 2/20 0.40
TP53 P04637 1/20 0.40
PDK2 Q15119 1/20 0.40
LMNA P02545 2/20 0.40
CYP2D6 P10635 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 3/20 0.37
KDM4E B2RXH2 3/20 0.36
STS P08842 1/20 0.36
POLB P06746 1/20 0.36
MAOB P27338 1/20 0.36
ESR1 P03372 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL7026493 0.91 TSHR (0.49) ALDH1A1TSHRTDP1CYP3A4TP53
SCHEMBL7023378 0.88 ALDH1A1 (0.50) ALDH1A1TSHRTDP1L3MBTL1MAPK1
SCHEMBL7028024 0.86 ALDH1A1 (0.49) ALDH1A1TSHRTDP1L3MBTL1MAPK1
SCHEMBL7027541 0.86 ALDH1A1 (0.49) ALDH1A1TSHRTDP1L3MBTL1MAPK1
SCHEMBL7025962 0.86 ALDH1A1 (0.49) ALDH1A1TSHRTDP1L3MBTL1MAPK1
SCHEMBL7034622 0.85 ALDH1A1 (0.48) ALDH1A1TSHRTDP1L3MBTL1MAPK1
SCHEMBL7035633 0.84 ALDH1A1 (0.47) ALDH1A1TSHRTDP1L3MBTL1MAPK1
SCHEMBL7025722 0.83 ALDH1A1 (0.46) ALDH1A1TSHRTDP1L3MBTL1MAPK1
SCHEMBL7032925 0.83 CA1 (0.41) ALDH1A1TSHRL3MBTL1LMNAHSD17B10
SCHEMBL7029920 0.82 ALDH1A1 (0.44) ALDH1A1TSHRTDP1L3MBTL1MAPK1

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 ALDH1A1 261/4885TSHR 820/4885TDP1 3464/4885

“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.