SCHEMBL7862952

SCHEMBL7862952

[C-]#[N+]c1ccc(Cl)nc1OCC(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
CNR2 P34972 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
SCHEMBL7865653 0.80 CRHBP (0.34) CRHBPCRHR2
SCHEMBL7864132 0.79 CRHBP (0.32) CRHBPCRHR2
SCHEMBL7862953 0.77 CRHBP (0.33) CRHBPCRHR2
SCHEMBL17490419 0.77 MAPT (0.42) CRHBPCRHR2CNR2
SCHEMBL7865497 0.76 CCR4 (0.39) CRHBPCRHR2
SCHEMBL7863733 0.74 CRHBP (0.37) CRHBPCRHR2
SCHEMBL2523444 0.73 MBOAT4 (0.46) CNR2
SCHEMBL2718290 0.72 L3MBTL1 (0.43) CNR2
SCHEMBL17490468 0.71 MERTK (0.51) CNR2
SCHEMBL2525732 0.71 MAPT (0.41) CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 US disclosed
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. (US) 2009-11-26 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-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 CRHBP 535/4885CRHR2 1119/4885CNR2 1319/4885

“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.