SCHEMBL3301368

SCHEMBL3301368

COC(=O)[C@H](CO)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.38
MMP13 P45452 1/20 0.38
CA14 Q9ULX7 3/20 0.35
CA12 O43570 2/20 0.34
DGAT1 O75907 1/20 0.33
HDAC6 Q9UBN7 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
REN P00797 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ADORA1 P30542 1/20 0.31
CA7 P43166 1/20 0.30

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
SCHEMBL13389472 1.00 AAK1 (0.38) AAK1MMP13CA14CA12DGAT1
SCHEMBL27092235 0.86 AAK1 (0.38) AAK1MMP13CA14CA12DGAT1
SCHEMBL30743001 0.86 AAK1 (0.38) AAK1MMP13CA14CA12DGAT1
SCHEMBL18235375 0.86 AAK1 (0.38) AAK1MMP13CA14CA12DGAT1
SCHEMBL24297646 0.85 AAK1 (0.37) AAK1MMP13CA14CA12DGAT1
SCHEMBL1742075 0.85 MMP13 (0.39) AAK1MMP13CA14CA12DGAT1
SCHEMBL9634202 0.84 CA14 (0.36) CA14CA12DGAT1HDAC6HDAC1
SCHEMBL9634197 0.84 CA14 (0.36) CA14CA12DGAT1HDAC6HDAC1
SCHEMBL21646813 0.84 AAK1 (0.37) AAK1MMP13CA14
SCHEMBL24093716 0.83 AAK1 (0.49) AAK1MMP13CA14CA12DGAT1

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-8828993-B2 Psychotropic agents having glutamate NMDA activity RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2014-09-09 US disclosed
US-20130131048-A1 NOVEL PSYCHOTROPIC AGENTS HAVING GLUTAMATE NMDA ACTIVITY RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2013-05-23 US disclosed
US-8394790-B2 Psychotropic agents having glutamate NMDA activity RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2013-03-12 US disclosed
US-20100093704-A1 NOVEL PSYCHOTROPIC AGENTS HAVING GLUTAMATE NMDA ACTIVITY RAMOT AT TEL-AVIV UNIVERSITY LTD (IL) 2010-04-15 US disclosed
EP-2077860-A2 NOVEL PSYCHOTROPIC AGENTS HAVING GLUTAMATE NMDA ACTIVITY Ramot at Tel-Aviv University Ltd (IL) 2009-07-15 EP disclosed
WO-2008050341-A2 NOVEL PSYCHOTROPIC AGENTS HAVING GLUTAMATE NMDA ACTIVITY RAMOT AT TEL-AVIV UNIVERSITY LTD (IL) 2008-05-02 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 (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-20130131048-A1 NOVEL PSYCHOTROPIC AGENTS HAVING GLUTAMATE NMDA ACTIVITY GRIN1, GRIN2A, GRIN2B AAK1 696/4885MMP13 4627/4885CA14 3166/4885
US-20100093704-A1 NOVEL PSYCHOTROPIC AGENTS HAVING GLUTAMATE NMDA ACTIVITY GRIN1, GRIN2A, GRIN2B AAK1 696/4885MMP13 4627/4885CA14 3166/4885

“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.