SCHEMBL7031434

SCHEMBL7031434

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
ALDH1A1 P00352 8/20 0.38
TRPA1 O75762 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD17B10 Q99714 3/20 0.36
KMT2A Q03164 4/20 0.36
CYP3A4 P08684 2/20 0.36
ALOX15 P16050 2/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 2/20 0.35

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
SCHEMBL7023290 0.89 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL11648877 0.86 ALDH1A1 (0.40) CYP1A2CYP2C9CYP2C19HTTMGAM
SCHEMBL7031894 0.82 CYP1A2 (0.35) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL7025313 0.79 CYP2C19 (0.51) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL7028184 0.78 CA1 (0.47) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL7024141 0.78 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL8544332 0.77 GAA (0.57) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL9119613 0.77 ALDH1A1 (0.39) CYP1A2CYP2C9CYP2C19HTTMGAM
SCHEMBL7031460 0.76 CA1 (0.46) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL6349227 0.76 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19HTTSMN1; 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 5 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

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.