SCHEMBL313457

SCHEMBL313457

CC(C)[C@H](N)C(=O)Oc1ncco1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.33
FFAR2 O15552 1/20 0.33
SLC7A5 Q01650 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31

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
SCHEMBL28160038 0.87 FFAR2 (0.31) FFAR2
SCHEMBL27790691 0.83 ELANE (0.38) FFAR2
Thiophene SCHEMBL28319961 0.78
SCHEMBL11385959 0.78 CHRNB2 (0.31)
SCHEMBL313375 0.77 CIT (0.30)
SCHEMBL5815964 0.73
SCHEMBL11803529 0.73 PSMB5 (0.36) PSMB5FFAR2SLC7A5PDE4APDE4B
SCHEMBL28326518 0.72 SMN1; SMN2 (0.33) PDE4A
SCHEMBL29152644 0.72 SMN1; SMN2 (0.33) PDE4A
Ammonia Solution, Strong SCHEMBL28154471 0.72 SMN1; SMN2 (0.33) PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729060-B2 Macrocyclic polyoxazole compounds and use thereof RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-05-20 US disclosed
US-8518928-B2 Therapeutic compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-08-27 US disclosed
US-20120071527-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-22 US disclosed
US-8093235-B2 Macrocyclic compounds which stabilize G-Quadruplex DNA and RNA RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-01-10 US disclosed
US-20110230531-A1 THERAPEUTIC COMPOUNDS NIH - DEITR 2011-09-22 US disclosed
EP-2183256-A1 THERAPEUTIC COMPOUNDS Rutgers, The State University of New Jersey (US) 2010-05-12 EP disclosed
EP-2079704-A2 THERAPEUTIC COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2009-07-22 EP disclosed
US-20090156627-A1 THERAPEUTIC COMPOUNDS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-06-18 US disclosed
WO-2009018549-A1 THERAPEUTIC COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2009-02-05 WO disclosed
WO-2007127173-A2 THERAPEUTIC COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2007-11-08 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 (3 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-20090156627-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, RECQL PSMB5 4475/4885FFAR2 4824/4885SLC7A5 3554/4885
US-20120071527-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, TOP1 PSMB5 4418/4885FFAR2 4824/4885SLC7A5 3631/4885
US-20110230531-A1 THERAPEUTIC COMPOUNDS MCL1, MKI67, NCL PSMB5 3866/4885FFAR2 4227/4885SLC7A5 1255/4885

“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.