SCHEMBL3612641

SCHEMBL3612641

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

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.36
▸ EPHX2 P34913 4/20 0.36
▸ EPHX1 P07099 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL3617697 1.00 HTT (0.36) HTTEPHX2EPHX1ALDH1A1RAB9A
SCHEMBL13547356 0.97 HTT (0.38) HTTEPHX1ALDH1A1RAB9AKDM4E
SCHEMBL12811829 0.84 EPHX1 (0.42) EPHX2EPHX1ALDH1A1RAB9AKDM4E
SCHEMBL13547213 0.82 EPHX1 (0.49) HTTEPHX2EPHX1ALDH1A1RAB9A
SCHEMBL2676319 0.82 EPHX1 (0.49) HTTEPHX2EPHX1ALDH1A1RAB9A
SCHEMBL13547377 0.82 KDM4E (0.43) ALDH1A1KDM4EMAPT
SCHEMBL13547226 0.80 RAB9A (0.34) EPHX1ALDH1A1RAB9AKDM4ESMN1; SMN2
SCHEMBL13547182 0.80 SMN1; SMN2 (0.52) HTTEPHX1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL13547180 0.80 SMN1; SMN2 (0.52) HTTEPHX1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL13547225 0.80 KDM4E (0.46) HTTEPHX1ALDH1A1RAB9AKDM4E

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
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

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 HTT 4855/4885EPHX2 1367/4885EPHX1 2008/4885

“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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