SCHEMBL745942

SCHEMBL745942

O=C(N[C@H]1CN(C(=O)O)C[C@@H]1O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.58
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
CPB1 P15086 2/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
TSHR P16473 1/20 0.48
DPP4 P27487 5/20 0.46
DPP7 Q9UHL4 5/20 0.46
EPHX1 P07099 1/20 0.45
HSD11B1 P28845 1/20 0.45
KCNH2 Q12809 3/20 0.45

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
SCHEMBL9993970 1.00 CTSK (0.58) CTSKALDH1A1GAACPB1CTSL
SCHEMBL4366638 1.00 CTSK (0.58) CTSKALDH1A1GAACPB1CTSL
SCHEMBL19063792 1.00 CTSK (0.58) CTSKALDH1A1GAACPB1CTSL
SCHEMBL4364990 1.00 CTSK (0.58) CTSKALDH1A1GAACPB1CTSL
SCHEMBL7504577 0.91 CTSK (0.60) CTSKALDH1A1GAACPB1CTSL
SCHEMBL15317930 0.91 CTSK (0.60) CTSKALDH1A1GAACPB1CTSL
SCHEMBL12067915 0.91 CTSK (0.60) CTSKALDH1A1GAACPB1CTSL
SCHEMBL21522663 0.89 CTSK (0.60) CTSKALDH1A1GAACPB1CTSL
SCHEMBL29268593 0.89 CTSK (0.60) CTSKALDH1A1GAACPB1CTSL
SCHEMBL19816607 0.89 CTSK (0.52) CTSKALDH1A1GAACPB1CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3313832-B1 3-TETRAZOLYL-BENZENE-1,2-DISULFONAMIDE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME (US) 2021-02-24 EP disclosed
US-10221163-B2 Metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2019-03-05 US disclosed
US-20180244656-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-08-30 US disclosed
US-8729063-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2014-05-20 US disclosed
US-20130116230-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2013-05-09 US disclosed
US-8362003-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2013-01-29 US disclosed
EP-1565436-B1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2012-04-25 EP disclosed
EP-2431357-A2 3-Aminopyrrolidine Derivatives as Modulators of Chemokine Receptors Incyte Corporation (US) 2012-03-21 EP disclosed
US-20110251168-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION 2011-10-13 US disclosed
US-7985730-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2011-07-26 US disclosed
US-20090247474-A1 3-Aminopyrrolidine Derivatives As Modulators Of Chemokine Receptors INCYTE CORPORATION 2009-10-01 US 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 (5 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-20130116230-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CXCR3, CCR5 CTSK 4083/4885ALDH1A1 2447/4885GAA 4876/4885
US-10221163-B2 Metallo-beta-lactamase inhibitors MLX, ZFX, MMP12 CTSK 868/4885ALDH1A1 259/4885GAA 4/4885
US-20090247474-A1 3-Aminopyrrolidine Derivatives As Modulators Of Chemokine Receptors CCR2, CXCR3, CCR5 CTSK 4083/4885ALDH1A1 2447/4885GAA 4876/4885
US-20180244656-A1 METALLO-BETA-LACTAMASE INHIBITORS MLX, ZFX, MMP12 CTSK 868/4885ALDH1A1 259/4885GAA 4/4885
US-20110251168-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CXCR3, CCR5 CTSK 4083/4885ALDH1A1 2447/4885GAA 4876/4885

“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.