SCHEMBL7031380

SCHEMBL7031380

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
TSHR P16473 7/20 0.46
TDP1 Q9NUW8 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
STS P08842 1/20 0.46
CYP3A4 P08684 2/20 0.45
MAPK1 P28482 2/20 0.45
TP53 P04637 1/20 0.45
HSD17B10 Q99714 3/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 3/20 0.43
CYP2D6 P10635 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 1/20 0.43
PDK2 Q15119 1/20 0.41
ESR1 P03372 1/20 0.40
CHRM1 P11229 1/20 0.40
SLC6A2 P23975 1/20 0.40

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
SCHEMBL7026000 0.88 TSHR (0.54) ALDH1A1TSHRSTSHSD17B10LMNA
SCHEMBL7032677 0.86 ALDH1A1 (0.57) ALDH1A1TSHRTDP1L3MBTL1STS
SCHEMBL7031833 0.86 ALDH1A1 (0.57) ALDH1A1TSHRTDP1L3MBTL1STS
SCHEMBL7024251 0.86 ALDH1A1 (0.57) ALDH1A1TSHRTDP1L3MBTL1STS
SCHEMBL7033042 0.84 ALDH1A1 (0.55) ALDH1A1TSHRTDP1L3MBTL1STS
SCHEMBL7029829 0.84 ALDH1A1 (0.55) ALDH1A1TSHRTDP1L3MBTL1STS
SCHEMBL7031085 0.84 CA2 (0.55) ALDH1A1TSHRHSD17B10LMNAKDM4E
SCHEMBL7029066 0.83 ALDH1A1 (0.54) ALDH1A1TSHRTDP1L3MBTL1STS
SCHEMBL7030140 0.82 ALDH1A1 (0.53) ALDH1A1TSHRTDP1L3MBTL1STS
SCHEMBL7032264 0.81 ALDH1A1 (0.51) ALDH1A1TSHRTDP1L3MBTL1STS

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1232505-C Substituted sulfonamido (thio) carbonyl compounds BAYER AG (DE) 2005-12-21 CN disclosed
CN-1439631-A Substituted sulfonamido (thio) carbonyl compounds BAYER AG (DE) 2003-09-03 CN disclosed
US-20030162979-A1 Substituted sulphonylamino(thio)carbonyl compounds MULLER KLAUS-HELMUT (DE) 2003-08-28 US disclosed
CN-1105717-C Substituted sulfonamido (thio) carbonyl compounds BAYER AG (DE) 2003-04-16 CN 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
CN-1207099-A Substituted sulfonamido (thio) carbonyl compounds BAYER AG (DE) 1999-02-03 CN 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.