SCHEMBL3912876

SCHEMBL3912876

COC(=O)c1sccc1S(=O)(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.73
MEN1 O00255 1/20 0.73
CYP3A4 P08684 1/20 0.73
TSHR P16473 1/20 0.73
MAPT P10636 2/20 0.65
EDNRA P25101 3/20 0.59
TP53 P04637 1/20 0.56
PPARG P37231 1/20 0.55
PPARD Q03181 1/20 0.55
PPARA Q07869 1/20 0.55
CCR2 P41597 1/20 0.53
LMNA P02545 1/20 0.51
TAS2R8 Q9NYW2 1/20 0.48
IDH1 O75874 3/20 0.48
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL12293576 0.88 MAPT (0.67) KMT2AMEN1CYP3A4TSHRMAPT
SCHEMBL12293606 0.88 MAPT (0.67) KMT2AMEN1CYP3A4TSHRMAPT
SCHEMBL12293583 0.88 MAPT (0.67) KMT2AMEN1CYP3A4TSHRMAPT
SCHEMBL12293571 0.88 MAPT (0.67) KMT2AMEN1CYP3A4TSHRMAPT
SCHEMBL12293577 0.86 MAPT (0.65) KMT2AMEN1CYP3A4TSHRMAPT
SCHEMBL12293569 0.86 MAPT (0.65) KMT2AMEN1CYP3A4TSHRMAPT
SCHEMBL533130 0.86 PPARG (0.66) KMT2AMEN1CYP3A4TSHRMAPT
SCHEMBL14702202 0.85 MAPT (0.64) KMT2AMEN1CYP3A4TSHRMAPT
SCHEMBL12293573 0.85 MAPT (0.64) KMT2AMEN1CYP3A4TSHRMAPT
SCHEMBL14702204 0.85 MAPT (0.64) KMT2AMEN1CYP3A4TSHRMAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011133729-A2 ANTI-VIRAL COMPOUNDS Kineta, Inc. (US) 2011-10-27 WO disclosed
US-20090318711-A1 Non-Covalent Inhibitors of AmpC ß-Lactamase SHOICHET BRIAN K 2009-12-24 US disclosed
US-20090318711-A1 Non-Covalent Inhibitors of AmpC ß-Lactamase SHOICHET BRIAN K 2009-12-24 US disclosed
US-20090318711-A1 Non-Covalent Inhibitors of AmpC ß-Lactamase SHOICHET BRIAN K 2009-12-24 US disclosed
US-7541381-B2 Non-covalent inhibitors of AmpC β-lactamase NORTHWESTERN UNIVERSITY (US) 2009-06-02 US disclosed
US-7541381-B2 Non-covalent inhibitors of AmpC β-lactamase NORTHWESTERN UNIVERSITY (US) 2009-06-02 US disclosed
US-7541381-B2 Non-covalent inhibitors of AmpC β-lactamase NORTHWESTERN UNIVERSITY (US) 2009-06-02 US disclosed
US-20030232830-A1 Non-covalent inhibitors of AmpC beta-lactamase NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-12-18 US disclosed
WO-2003070682-A1 NON-COVALENT INHIBITORS OF AmpC ß-LACTAMASE NORTHWESTERN UNIVERSITY (US) 2003-08-28 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 (2 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-20090318711-A1 Non-Covalent Inhibitors of AmpC ß-Lactamase AMPD1, AMPD2, AMPD3 KMT2A 1451/4885MEN1 4244/4885CYP3A4 1243/4885
US-20030232830-A1 Non-covalent inhibitors of AmpC beta-lactamase AMPD1, AMPD3, AMPD2 KMT2A 1607/4885MEN1 4321/4885CYP3A4 1346/4885

“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.