SCHEMBL3605226

SCHEMBL3605226

CC1(C)CCC(N[S+]([O-])C(C)(C)C)CC(C)(C)N1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.37
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.31

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
SCHEMBL14218470 1.00 RECQL (0.37) RECQLKMT2AGAAMEN1
SCHEMBL22798797 0.74
SCHEMBL22798795 0.74
SCHEMBL30197541 0.74
SCHEMBL22798798 0.74
SCHEMBL23022452 0.73 KDM1A (0.31)
SCHEMBL23022453 0.73 KDM1A (0.31)
SCHEMBL19766662 0.73 ESR2 (0.30)
SCHEMBL30000467 0.73 ESR2 (0.30)
SCHEMBL19766659 0.73 ESR2 (0.30)

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-20100009957-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK SHARP & DOHME CORP. 2010-01-14 US disclosed
US-20100009957-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK SHARP & DOHME CORP. 2010-01-14 US disclosed
US-20100009957-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK SHARP & DOHME CORP. 2010-01-14 US disclosed
EP-2069347-A2 NOVEL INHIBITORS OF BETA-LACTAMASE Merck & Co., Inc. (US) 2009-06-17 EP disclosed
WO-2008039420-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2008-04-03 WO disclosed
WO-2008039420-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2008-04-03 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-20100009957-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, SI, MGAM2 RECQL 3053/4885KMT2A 1484/4885GAA 14/4885

“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.