SCHEMBL17709667

SCHEMBL17709667

CC(CC(C)(C)NC(=O)O)NO

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
PIK3CD O00329 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
SCHEMBL23168321 0.80 CYP2C19 (0.41) MMP8CYP2D6CYP2C19PIK3CD
SCHEMBL29059253 0.75 CYP2D6 (0.32) MMP8CYP2D6CYP2C19PIK3CD
SCHEMBL29130087 0.75 CYP2D6 (0.32) MMP8CYP2D6CYP2C19PIK3CD
SCHEMBL15562350 0.75 CYP2D6 (0.32) MMP8CYP2D6CYP2C19PIK3CD
SCHEMBL28908979 0.73 CYP2D6 (0.31) CYP2D6CYP2C19
SCHEMBL29059387 0.73 CYP2D6 (0.31) CYP2D6CYP2C19
SCHEMBL28596003 0.72 CYP2D6 (0.30) CYP2D6CYP2C19
SCHEMBL29102325 0.72 CYP2D6 (0.30) CYP2D6CYP2C19
SCHEMBL29168294 0.69 L3MBTL1 (0.30)
SCHEMBL29050625 0.69 ALDH1A1 (0.32) CYP2C19

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-9776997-B2 3-aryl-substituted imidazo[1,2-A]pyridines and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-10-03 US disclosed
US-20160122341-A1 3-ARYL-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-05 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-20160122341-A1 3-ARYL-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINES AND THEIR USE PNPO, PAH, TNNI3 MMP8 3084/4885CYP2D6 133/4885CYP2C19 188/4885

“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.