SCHEMBL10044267

SCHEMBL10044267

CC(C)(C)OC(=O)Nc1ncc(C(C)(O)C(F)(F)F)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ FSHR P23945 1/20 0.39
▸ ATR Q13535 1/20 0.39
▸ NAMPT P43490 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ GCK P35557 2/20 0.34
▸ GCKR Q14397 2/20 0.34
▸ JUN P05412 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ CYP17A1 P05093 1/20 0.34
▸ LCK P06239 2/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ MAPKAPK2 P49137 1/20 0.33
▸ MEN1 O00255 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
SCHEMBL649114 0.88 TSHR (0.39) SYKTSHRFSHRATRNAMPT
SCHEMBL31000170 0.82 GAA (0.42) ATRNAMPTPOLBGCKGCKR
SCHEMBL21185547 0.78 SYK (0.44) SYKTSHRFSHRATRNAMPT
SCHEMBL3269413 0.78 ATR (0.41) SYKTSHRFSHRATRNAMPT
SCHEMBL14854850 0.76 TSHR (0.43) SYKTSHRFSHRATRNAMPT
SCHEMBL29178763 0.76 ATR (0.40) SYKTSHRFSHRATRNAMPT
SCHEMBL15635115 0.76 AAK1 (0.41) SYKTSHRFSHRATRNAMPT
SCHEMBL4599319 0.76 PDK1 (0.49) NAMPTCYP17A1CA1
SCHEMBL29170391 0.75 TSHR (0.42) SYKTSHRFSHRATRNAMPT
SCHEMBL2258337 0.75 MAPT (0.42) SYKTSHRFSHRATRNAMPT

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-8119819-B2 Malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-02-21 — — US disclosed
US-20100016259-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-01-21 — — 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-20100016259-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators MLYCD, ME3, ACACA SYK 4619/4885TSHR 4318/4885FSHR 3841/4885

“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.

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