SCHEMBL800513

SCHEMBL800513

CCC(C)C1=NC(C(=O)OC)CO1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL1180795 0.80 CCR3 (0.31) CCR3
SCHEMBL16011629 0.80 CCR3 (0.31) CCR3
SCHEMBL12493590 0.75 CTSK (0.38)
SCHEMBL22648564 0.75 LMNA (0.43) NPSR1
SCHEMBL1127480 0.75
SCHEMBL18792409 0.74 MIF (0.31)
SCHEMBL800495 0.72 KMT2A (0.44)
SCHEMBL3583577 0.71 GAA (0.30)
SCHEMBL30457015 0.71
SCHEMBL22648562 0.71 CTSK (0.43)

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-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-20110230531-A1 THERAPEUTIC COMPOUNDS NIH - DEITR 2011-09-22 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-20120071527-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, TOP1 CCR3 2609/4885NPSR1 2943/4885
US-20110230531-A1 THERAPEUTIC COMPOUNDS MCL1, MKI67, NCL CCR3 2144/4885NPSR1 2362/4885

“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.