SCHEMBL3917516

SCHEMBL3917516

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 1.00
▸ KMT2A Q03164 3/20 1.00
▸ CYP3A4 P08684 2/20 1.00
▸ TSHR P16473 1/20 1.00
▸ EDNRA P25101 3/20 0.55
▸ KDM4E B2RXH2 1/20 0.53
▸ MAPK1 P28482 1/20 0.51
▸ ACLY P53396 1/20 0.50
▸ MCL1 Q07820 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ CES1 P23141 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ IDH1 O75874 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 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
SCHEMBL12293612 0.86 MEN1 (0.76) MEN1KMT2ACYP3A4TSHREDNRA
SCHEMBL3912876 0.85 KMT2A (0.73) MEN1KMT2ACYP3A4TSHREDNRA
SCHEMBL7046426 0.76 MEN1 (0.61) MEN1KMT2ACYP3A4TSHREDNRA
SCHEMBL12293573 0.75 MAPT (0.64) MEN1KMT2ACYP3A4TSHREDNRA
SCHEMBL12293620 0.75 MEN1 (0.59) MEN1KMT2ACYP3A4TSHREDNRA
SCHEMBL11532397 0.74 LMNA (0.62) MEN1KMT2ACYP3A4TSHREDNRA
SCHEMBL492007 0.73 ACLY (0.77) MEN1KMT2ACYP3A4TSHRACLY
SCHEMBL1936832 0.73 MEN1 (0.57) MEN1KMT2ACYP3A4TSHREDNRA
SCHEMBL533130 0.72 PPARG (0.66) MEN1KMT2ACYP3A4TSHREDNRA
SCHEMBL12293616 0.72 MEN1 (0.57) MEN1KMT2ACYP3A4TSHREDNRA

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-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-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 MEN1 4244/4885KMT2A 1451/4885CYP3A4 1243/4885
US-20030232830-A1 Non-covalent inhibitors of AmpC beta-lactamase AMPD1, AMPD3, AMPD2 MEN1 4321/4885KMT2A 1607/4885CYP3A4 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.

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