SCHEMBL649114

SCHEMBL649114

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.39
▸ FSHR P23945 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SYK P43405 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ ATR Q13535 1/20 0.36
▸ RORC P51449 2/20 0.36
▸ MAPKAPK2 P49137 1/20 0.36
▸ NAMPT P43490 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ JUN P05412 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ NR1H2 P55055 1/20 0.34
▸ NR1H3 Q13133 1/20 0.34
▸ CYP17A1 P05093 1/20 0.34
▸ MLYCD O95822 1/20 0.34
▸ GSK3B P49841 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
SCHEMBL10044267 0.88 SYK (0.40) TSHRFSHRSYKLMNAPOLB
SCHEMBL21185547 0.78 SYK (0.44) TSHRFSHRSYKATRMAPKAPK2
SCHEMBL3269413 0.78 ATR (0.41) TSHRFSHRSYKATRMAPKAPK2
SCHEMBL1898244 0.78 SMN1; SMN2 (0.41) SMN1; SMN2RORCNR1H2NR1H3MLYCD
SCHEMBL15635115 0.76 AAK1 (0.41) TSHRFSHRSMN1; SMN2SYKATR
SCHEMBL14854850 0.76 TSHR (0.43) TSHRFSHRSYKATRMAPKAPK2
SCHEMBL29178763 0.76 ATR (0.40) TSHRFSHRSYKATRMAPKAPK2
SCHEMBL23502328 0.76 SMN1; SMN2 (0.64) SMN1; SMN2RORCNAMPTCYP17A1MLYCD
SCHEMBL2258337 0.75 MAPT (0.42) TSHRFSHRSYKATRMAPKAPK2
SCHEMBL29170391 0.75 TSHR (0.42) TSHRFSHRSYKATRMAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1411929-B1 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2011-05-11 — — EP claimed
US-8119819-B2 Malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-02-21 — — US disclosed
EP-1411929-B1 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2011-05-11 — — EP disclosed
US-20100016259-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-01-21 — — US disclosed
US-7524969-B2 Malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-28 — — US disclosed
US-7524969-B2 Malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-28 — — US disclosed
US-7524969-B2 Malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-28 — — US disclosed
US-20040082576-A1 Malonyl-coa decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-04-29 — — US disclosed
WO-2003090869-A1 LXR MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-11-06 — — WO 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 (2 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 TSHR 4318/4885FSHR 3841/4885SMN1; SMN2 2783/4885
US-20040082576-A1 Malonyl-coa decarboxylase inhibitors useful as metabolic modulators MLYCD, ME3, ACACA TSHR 4318/4885FSHR 3841/4885SMN1; SMN2 2783/4885

“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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