SCHEMBL7033401

SCHEMBL7033401

CCCOC(=O)CSCC(C)C(=O)OCCC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 5/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
NAAA Q02083 1/20 0.32
DGKA P23743 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FAAH O00519 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
SCHEMBL7035531 0.90 CYP1A2 (0.38) CYP1A2CYP2C9CYP2C19HTTALDH1A1
SCHEMBL19214461 0.83 HCAR2 (0.34) ALDH1A1LMNAHSD17B10HCAR2
SCHEMBL7025313 0.81 CYP2C19 (0.51) CYP1A2CYP2C9CYP2C19HTTALDH1A1
SCHEMBL14099547 0.81 CYP1A2 (0.43) CYP1A2CYP2C9CYP2C19HTTALDH1A1
SCHEMBL15257474 0.81 ADRA2A (0.43) CYP1A2CYP2C9CYP2C19HTTLMNA
SCHEMBL7024071 0.81 CYP1A2 (0.35) CYP1A2CYP2C9CYP2C19HTTALDH1A1
SCHEMBL7031894 0.81 CYP1A2 (0.35) CYP1A2CYP2C9CYP2C19HTTALDH1A1
SCHEMBL14353216 0.80 ALDH1A1 (0.44) CYP1A2CYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL7035278 0.77 CYP1A2 (0.36) CYP1A2CYP2C9CYP2C19HTTALDH1A1
SCHEMBL17640842 0.76 CYP1A2 (0.33) CYP1A2CYP2C9CYP2C19HTT

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.