SCHEMBL4494340

SCHEMBL4494340

CC(C)Cn1nc(C(=O)c2cccc(O)c2)c2ccccc21.CC(C)Cn1nc(C(=O)c2cccc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)c2)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.37
PTGER4 P35408 2/20 0.37
SLC16A3 O15427 2/20 0.35
SLC16A1 P53985 1/20 0.35
HSD17B1 P14061 2/20 0.35
HSD17B2 P37059 2/20 0.35
STS P08842 1/20 0.34
PPARG P37231 2/20 0.33
F2 P00734 1/20 0.33
PLAU P00749 1/20 0.33

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
SCHEMBL6111708 0.96 ELANE (0.39) ELANEPTGER4SLC16A3SLC16A1F2
SCHEMBL4479488 0.89 CTNNB1 (0.38) ELANEPTGER4
SCHEMBL4493511 0.84 CYP2C19 (0.41) ELANEF2PLAU
SCHEMBL4481117 0.73 PTGER4 (0.54) PTGER4SLC16A3
SCHEMBL7092637 0.71 CYP3A4 (0.42) HSD17B1HSD17B2
SCHEMBL4473871 0.71 CNR1 (0.43) ELANE
SCHEMBL4481802 0.71 CTNNB1 (0.47)
SCHEMBL4491938 0.69 CYP2C19 (0.40) ELANEF2PLAU
SCHEMBL27358205 0.69 AKR1C3 (0.53) PPARG
SCHEMBL4478228 0.69 HTR4 (0.46) ELANEF2PLAU

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-7598286-B2 [(1H-indazol-3-yl)methyl]phenols and (hydroxyphenyl)(1H-indazol-3-yl)methanones WYETH (US) 2009-10-06 US disclosed
US-20060106084-A1 [(1H-indazol-3-yl)methyl]phenols and (hydroxyphenyl)(1H-indazol-3-yl)methanones WYETH (US) 2006-05-18 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-20060106084-A1 [(1H-indazol-3-yl)methyl]phenols and (hydroxyphenyl)(1H-indazol-3-yl)methanones PTGS1, NOS3, PTGIS ELANE 250/4885PTGER4 139/4885SLC16A3 3795/4885

“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.