SCHEMBL13547232

SCHEMBL13547232

O=C(N[C@H]1CCON(C(=O)OCc2ccccc2)CC1)ON1C(=O)CCC1=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ GPR55 Q9Y2T6 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ CTSL P07711 1/20 0.44
▸ CTSB P07858 1/20 0.44
▸ CTSK P43235 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ HSD11B1 P28845 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ DPP4 P27487 3/20 0.41
▸ KCNH2 Q12809 3/20 0.41
▸ DPP7 Q9UHL4 3/20 0.41
▸ EPHX1 P07099 1/20 0.40

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
SCHEMBL13547231 0.86 CTSL (0.51) MEN1KMT2AGPR55ALDH1A1GAA
SCHEMBL13547182 0.82 SMN1; SMN2 (0.52) MEN1KMT2AGPR55ALDH1A1GAA
SCHEMBL13547180 0.82 SMN1; SMN2 (0.52) MEN1KMT2AGPR55ALDH1A1GAA
SCHEMBL3616970 0.82 SMN1; SMN2 (0.51) MEN1KMT2AALDH1A1GAATSHR
SCHEMBL13547236 0.82 MEN1 (0.56) MEN1KMT2AGPR55CTSLCTSB
SCHEMBL3602821 0.81 SMN1; SMN2 (0.51) MEN1KMT2AALDH1A1GAAHSD11B1
SCHEMBL3616214 0.80 DPP4 (0.51) MEN1KMT2AALDH1A1GAATSHR
SCHEMBL13547234 0.79 ALDH1A1 (0.60) MEN1KMT2AGPR55ALDH1A1GAA
SCHEMBL13547235 0.78 HSD11B1 (0.48) MEN1KMT2AGPR55ALDH1A1GAA
SCHEMBL13547219 0.74 MEN1 (0.52) MEN1KMT2AGPR55ALDH1A1GAA

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 3 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
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 MEN1 3480/4885KMT2A 1484/4885GPR55 3857/4885

“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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