SCHEMBL3301654

SCHEMBL3301654

COC(=O)[C@H](COCCCI)NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.40
CTSK P43235 6/20 0.39
CTSS P25774 6/20 0.39
CTSL P07711 2/20 0.39
CTSB P07858 1/20 0.39
PPARG P37231 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
CAPN1 P07384 1/20 0.38
CA12 O43570 1/20 0.38
CA14 Q9ULX7 1/20 0.38
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
KLK5 Q9Y337 2/20 0.37

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
SCHEMBL13389317 1.00 PPARA (0.40) PPARACTSKCTSSCTSLCTSB
SCHEMBL20170528 0.87 CTSK (0.49) PPARACTSKCTSSCTSLCTSB
SCHEMBL18555427 0.87 TDP1 (0.42) PPARACTSKCTSSCTSLCTSB
SCHEMBL18555424 0.87 TDP1 (0.42) PPARACTSKCTSSCTSLCTSB
SCHEMBL15289799 0.87 CTSK (0.49) PPARACTSKCTSSCTSLCTSB
SCHEMBL18555635 0.86 PPARA (0.40) PPARACTSKCTSSCTSLCTSB
SCHEMBL18555637 0.86 PPARA (0.40) PPARACTSKCTSSCTSLCTSB
SCHEMBL22772652 0.85 MEN1 (0.48) PPARACTSKCTSSCTSLCTSB
SCHEMBL22772653 0.85 MEN1 (0.48) PPARACTSKCTSSCTSLCTSB
SCHEMBL20905417 0.84 PPARA (0.42) PPARACTSKCTSSCTSLCTSB

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 PPARA 1008/4885CTSK 2220/4885CTSS 2701/4885
US-20100093704-A1 NOVEL PSYCHOTROPIC AGENTS HAVING GLUTAMATE NMDA ACTIVITY GRIN1, GRIN2A, GRIN2B PPARA 1008/4885CTSK 2220/4885CTSS 2701/4885

“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.