SCHEMBL7026744

SCHEMBL7026744

CCC1CSC(C(=O)OC)C1=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
BRD4 O60885 1/20 0.34
CYP1A2 P05177 1/20 0.33
HIF1A Q16665 1/20 0.33
GAA P10253 2/20 0.31
ALDH1A1 P00352 2/20 0.31
PDE7A Q13946 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL7030761 0.85 KDM4E (0.38) KMT2AGAAALDH1A1
SCHEMBL7032302 0.82 PPM1B (0.35) ALDH1A1
SCHEMBL7029250 0.80 ALDH1A1 (0.31) GAAALDH1A1
SCHEMBL7028041 0.79 TSHR (0.33) KMT2A
SCHEMBL7026737 0.77 KMT2A (0.37) KMT2ABRD4CYP1A2HIF1AALDH1A1
SCHEMBL7030192 0.75 KMT2A (0.36) KMT2ABRD4CYP1A2HIF1AALDH1A1
SCHEMBL7470544 0.73 MMP2 (0.33) CYP1A2HIF1A
SCHEMBL7024529 0.71 KMT2A (0.33) KMT2ABRD4CYP1A2HIF1A
SCHEMBL8492515 0.69 KMT2A (0.34) KMT2ABRD4CYP1A2HIF1AGAA
SCHEMBL5896745 0.68 CYP1A2 (0.38) KMT2ABRD4CYP1A2HIF1AGAA

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 4 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
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
US-3946111-A ANALYGESICS SHARPS ASSOCIATES (US) 1976-03-23 US 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 KMT2A 2161/4885BRD4 2432/4885CYP1A2 227/4885

“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.