SCHEMBL7025313

SCHEMBL7025313

CCOC(=O)CSCC(C)C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
HTT P42858 1/20 0.51
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 8/20 0.39
HSD17B10 Q99714 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP3A4 P08684 3/20 0.39
ALOX15 P16050 2/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
CHRM1 P11229 1/20 0.39
ADORA1 P30542 1/20 0.39
TRPA1 O75762 1/20 0.39

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
SCHEMBL7032280 0.89 CYP1A2 (0.49) CYP2C19CYP1A2CYP2C9HTTMGAM
SCHEMBL14099547 0.88 CYP1A2 (0.43) CYP2C19CYP1A2CYP2C9HTTMGAM
SCHEMBL12055920 0.87 CYP1A2 (0.47) CYP2C19CYP1A2CYP2C9HTTMGAM
SCHEMBL31065468 0.86 METAP2 (0.42) CYP2C19CYP1A2CYP2C9HTTMGAM
SCHEMBL12055917 0.85 CYP1A2 (0.46) CYP2C19CYP1A2CYP2C9HTTMGAM
SCHEMBL9874566 0.85 ALDH1A1 (0.38) CYP2C19CYP1A2CYP2C9HTTMGAM
SCHEMBL15257474 0.84 ADRA2A (0.43) CYP2C19CYP1A2CYP2C9HTTGAA
SCHEMBL12934328 0.82 METAP2 (0.40) CYP2C19CYP1A2CYP2C9HTTMGAM
SCHEMBL3671186 0.82 METAP2 (0.43) CYP2C19CYP1A2CYP2C9HTTMGAM
SCHEMBL7033401 0.81 CYP1A2 (0.36) CYP2C19CYP1A2CYP2C9HTTSMN1; SMN2

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

“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.