SCHEMBL7035531

SCHEMBL7035531

CCCOC(=O)CSCC(C)C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
FAAH O00519 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
ZDHHC7 Q9NXF8 1/20 0.31
HSD17B10 Q99714 2/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
NAAA Q02083 1/20 0.31
DGKA P23743 1/20 0.31

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
SCHEMBL7033401 0.90 CYP1A2 (0.36) CYP1A2CYP2C9CYP2C19HTTALDH1A1
SCHEMBL7032280 0.86 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19HTTALDH1A1
SCHEMBL18068957 0.84 TSHR (0.36) CYP1A2CYP2C9CYP2C19HTTALDH1A1
SCHEMBL7026696 0.84 TSHR (0.36) CYP1A2CYP2C9CYP2C19HTTALDH1A1
SCHEMBL17640897 0.83 TP53 (0.33) CYP1A2CYP2C9CYP2C19HTTALDH1A1
SCHEMBL7034368 0.82 CYP1A2 (0.37) CYP1A2CYP2C9CYP2C19HTTALDH1A1
SCHEMBL7031460 0.82 CA1 (0.46) CYP1A2CYP2C9CYP2C19HTTALDH1A1
SCHEMBL20126557 0.80 CYP1A2 (0.38) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL7031752 0.79 LMNA (0.34) CYP1A2CYP2C9CYP2C19HTTALDH1A1
SCHEMBL7030564 0.78 CYP1A2 (0.37) CYP1A2CYP2C9CYP2C19HTTALDH1A1

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 CYP1A2 227/4885CYP2C9 158/4885CYP2C19 851/4885

“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.