SCHEMBL7523385

SCHEMBL7523385

CC(=O)OCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(C#N)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 7/20 0.55
SIRT1 Q96EB6 6/20 0.55
CTSS P25774 4/20 0.53
CTSL P07711 3/20 0.53
CTSB P07858 2/20 0.51
CTSK P43235 2/20 0.51
SIRT3 Q9NTG7 3/20 0.50
SIRT5 Q9NXA8 2/20 0.50
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
TACR1 P25103 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
KDM1A O60341 1/20 0.48

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
SCHEMBL7513034 0.88 CTSL (0.53) SIRT2SIRT1CTSSCTSLCTSB
SCHEMBL4154299 0.85 TACR1 (0.67) CTSSCTSLCTSBCTSKTACR1
SCHEMBL5178489 0.79 ALDH1A1 (0.55) SIRT2SIRT1CTSSCTSLCTSB
SCHEMBL11373846 0.77 ITGB3 (0.58) CTSSCTSLCTSBCTSKTACR1
SCHEMBL15062444 0.77 MEN1 (0.65) SIRT2SIRT1CTSKSIRT3MEN1
SCHEMBL18546554 0.76 SIRT2 (0.64) SIRT2SIRT1SIRT3SIRT5HDAC8
SCHEMBL22034417 0.75 SIRT5 (0.69) SIRT2SIRT1SIRT3SIRT5HDAC8
SCHEMBL22034415 0.75 SIRT5 (0.69) SIRT2SIRT1SIRT3SIRT5HDAC8
SCHEMBL4163972 0.74 TACR1 (0.64) CTSSCTSLCTSBCTSKTACR1
SCHEMBL7970776 0.74 CTSL (0.65) CTSSCTSLCTSBCTSKMEN1

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-6492541-B2 Process for the preparation of 3-amino-2-oxo-pyrrolidines, novel intermediates and their use DEGUSSA-HULS AKTIENGESELLSCHAFT (DE) 2002-12-10 US disclosed
US-20020045763-A1 Process for the preparation of 3-amino-2-oxo-pyrrolidines, novel intermediates and their use DEGUSSA-HULS AKTIENGENSELLSCHAFT 2002-04-18 US disclosed
US-20010025109-A1 Process for the preparation of 3-amino-2-oxo-pyrrolidines, novel intermediates and their use DEGUSSA-HULS AKTIENGENSELLSCHAFT 2001-09-27 US disclosed
US-6281364-B1 CYCLIZATION DEGUSSA-HULS AG (DE) 2001-08-28 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 (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-20010025109-A1 Process for the preparation of 3-amino-2-oxo-pyrrolidines, novel intermediates and their use AAAS, IL4I1, PGLS SIRT2 2257/4885SIRT1 3918/4885CTSS 1368/4885
US-20020045763-A1 Process for the preparation of 3-amino-2-oxo-pyrrolidines, novel intermediates and their use AAAS, IL4I1, PGLS SIRT2 2257/4885SIRT1 3918/4885CTSS 1368/4885

“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.