SCHEMBL7034622

SCHEMBL7034622

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
TSHR P16473 5/20 0.40
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 2/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
PDK2 Q15119 1/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL7028774 0.90 TSHR (0.45) ALDH1A1TSHRPOLBL3MBTL1KDM4E
SCHEMBL7031377 0.86 ALDH1A1 (0.44) ALDH1A1TSHRPOLBL3MBTL1TDP1
SCHEMBL7029920 0.86 ALDH1A1 (0.44) ALDH1A1TSHRL3MBTL1TDP1MAPK1
SCHEMBL7029930 0.85 ALDH1A1 (0.50) ALDH1A1TSHRPOLBL3MBTL1KDM4E
SCHEMBL7023378 0.85 ALDH1A1 (0.50) ALDH1A1TSHRPOLBL3MBTL1KDM4E
SCHEMBL7028718 0.85 MAPT (0.43) ALDH1A1TSHRPOLBL3MBTL1KDM4E
SCHEMBL7025962 0.84 ALDH1A1 (0.49) ALDH1A1TSHRPOLBL3MBTL1KDM4E
SCHEMBL7027541 0.84 ALDH1A1 (0.49) ALDH1A1TSHRPOLBL3MBTL1KDM4E
SCHEMBL7028024 0.84 ALDH1A1 (0.49) ALDH1A1TSHRPOLBL3MBTL1KDM4E
SCHEMBL7035633 0.82 ALDH1A1 (0.47) ALDH1A1TSHRPOLBL3MBTL1KDM4E

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 820/4885POLB 3434/4885

“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.