SCHEMBL4881876

SCHEMBL4881876

N#Cc1cc(C(=O)O)c(C(F)(F)F)nc1N1CC(C(=O)O)C1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
P2RY12 Q9H244 14/20 0.44
ACACB O00763 1/20 0.44
KDM4E B2RXH2 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL3586010 0.85 ALDH1A1 (0.71) ALDH1A1P2RY12ACACBKDM4ENPSR1
SCHEMBL4005897 0.81 ALDH1A1 (0.72) ALDH1A1P2RY12KDM4ENPSR1
SCHEMBL29258456 0.78 ALDH1A1 (0.69) ALDH1A1P2RY12KDM4ENPSR1
SCHEMBL30999847 0.78 ALDH1A1 (0.69) ALDH1A1P2RY12KDM4ENPSR1
SCHEMBL4875331 0.76 P2RY12 (0.56) ALDH1A1P2RY12KDM4E
SCHEMBL3599232 0.75 ALDH1A1 (0.74) ALDH1A1P2RY12KDM4ENPSR1
SCHEMBL23120425 0.74 KDM4E (0.40) ALDH1A1P2RY12KDM4E
SCHEMBL30999852 0.73 P2RY12 (0.60) ALDH1A1P2RY12KDM4ENPSR1
SCHEMBL3922603 0.73 P2RY12 (0.77) P2RY12
SCHEMBL5062114 0.72 KHK (0.41) ALDH1A1P2RY12KDM4ENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312208-A1 Pyridine Analogues ASTRAZENECA AB (SE) 2008-12-18 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 (1 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-20080312208-A1 Pyridine Analogues P2RY12, P2RY11, P2RY1 ALDH1A1 1274/4885P2RY12 1/4885ACACB 4334/4885

“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.