SCHEMBL7916018

SCHEMBL7916018

CCNc1ccn([C@@H]2O[C@H](COC(=O)NCCCCCCC(=O)NO)[C@@H](O)[C@@H]2O)c(=O)n1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 6/20 0.51
PRKACA P17612 2/20 0.47
P2RY6 Q15077 8/20 0.44
P2RY4 P51582 5/20 0.44
HINT1 P49773 1/20 0.42
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
P2RY14 Q15391 2/20 0.41
NT5E P21589 1/20 0.41

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
SCHEMBL7919327 0.92 PRKACA (0.48) P2RY2PRKACAP2RY6P2RY4HINT1
SCHEMBL7919322 0.87 LMNA (0.53) P2RY2PRKACA
SCHEMBL26320825 0.85 P2RY2 (0.57) P2RY2PRKACAP2RY6P2RY4HINT1
SCHEMBL20668749 0.85 P2RY2 (0.57) P2RY2PRKACAP2RY6P2RY4HINT1
SCHEMBL22387135 0.85 P2RY2 (0.57) P2RY2PRKACAP2RY6P2RY4HINT1
SCHEMBL23066250 0.85 P2RY2 (0.57) P2RY2PRKACAP2RY6P2RY4HINT1
SCHEMBL12102288 0.81 P2RY6 (0.47) P2RY2P2RY6P2RY4P2RY14NT5E
SCHEMBL12102270 0.81 P2RY6 (0.47) P2RY2P2RY6P2RY4P2RY14NT5E
SCHEMBL7913039 0.80 P2RY2 (0.45) P2RY2P2RY6P2RY4P2RY14NT5E
SCHEMBL7905695 0.77 LMNA (0.57) P2RY2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE46144-E1 Hydroxamic acid derivatives PURDUE PHARMACEUTICAL PRODUCTS L.P. (US) 2016-09-13 US disclosed
US-9096627-B2 Hydroxamic acid derivatives PURDUE PHARMACEUTICAL PRODUCTS L.P. (US) 2015-08-04 US disclosed
US-20140066419-A1 HYDROXAMIC ACID DERIVATIVES PURDUE PHARMACEUTICAL PRODUCTS L.P. (US) 2014-03-06 US disclosed
US-20110269706-A1 Hydroxamic Acid Derivatives NORTHLAKE BIOSCIENCES LLC (US) 2011-11-03 US disclosed
WO-2010085377-A2 HYDROXAMIC ACID DERIVATIVES CRYSTAL BIOPHARMACEUTICAL LLC (US) 2010-07-29 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-20140066419-A1 HYDROXAMIC ACID DERIVATIVES HDAC5, HDAC7, HDAC4 P2RY2 4327/4885PRKACA 2180/4885P2RY6 4297/4885
US-20110269706-A1 Hydroxamic Acid Derivatives CD74, HLA-DRB1, HDAC5 P2RY2 4607/4885PRKACA 2146/4885P2RY6 4180/4885

“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.