SCHEMBL647661

SCHEMBL647661

Nc1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 20/20 0.53

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
SCHEMBL30497228 0.79 NOS1 (0.41) MLYCD
SCHEMBL743585 0.79 NOS1 (0.44) MLYCD
SCHEMBL1512620 0.78 MLYCD (0.50) MLYCD
Hydrochloric Acid SCHEMBL16416235 0.77 NOS1 (0.43) MLYCD
SCHEMBL2992212 0.76 MLYCD (0.49) MLYCD
SCHEMBL3589385 0.76 MLYCD (0.48) MLYCD
SCHEMBL3188826 0.75 NOS1 (0.46) MLYCD
SCHEMBL2469989 0.73 MLYCD (0.46) MLYCD
SCHEMBL1512402 0.72 MLYCD (0.48) MLYCD
SCHEMBL5875565 0.71 NOS1 (0.42) MLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921576-B2 Spiroindoline compound, and medicinal agent comprising same KOWA COMPANY, LTD. (JP) 2014-12-30 US disclosed
US-20140309207-A1 NOVEL SPIROINDOLINE COMPOUND, AND MEDICINAL AGENT COMPRISING SAME KOWA COMPANY, LTD (JP) 2014-10-16 US disclosed
EP-2781521-A1 NOVEL SPIROINDOLINE COMPOUND, AND MEDICINAL AGENT COMPRISING SAME Kowa Company, Ltd. (JP) 2014-09-24 EP disclosed
US-8357679-B2 Hexafluoroisopropanol derivatives MSD OSS B.V. (NL) 2013-01-22 US disclosed
US-8119819-B2 Malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-02-21 US disclosed
EP-2297118-B1 N- (1, 1, 1, 3, 3, 3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL) BENZYL-N' -ARYLCARBONYLPIPERAZ INE DERIVATIVES AS LXR MODULATORS ORGANON NV (NL) 2011-10-05 EP disclosed
CN-101596191-B Method for treatment of disease using malonyl-coa decarboxylase inhibitor CHUGAI PHARMACEUTICAL CO LTD 2011-06-15 CN disclosed
EP-1411929-B1 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2011-05-11 EP disclosed
EP-2297118-A1 N- (1, 1, 1, 3, 3, 3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL) BENZYL-N' -ARYLCARBONYLPIPERAZ INE DERIVATIVES N.V. Organon (NL) 2011-03-23 EP disclosed
US-20100029621-A1 HEXAFLUOROISOPROPANOL DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2010-02-04 US disclosed
US-20100016259-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-01-21 US disclosed
CN-101596191-A Malonyl coa decarboxylase inhibitor as metabolism regulators CHUGAI PHARMACEUTICAL CO LTD (JP) 2009-12-09 CN disclosed
WO-2009138438-A1 N- (1, 1, 1, 3, 3, 3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL) BENZYL-N' -ARYLCARBONYLPIPERAZ INE DERIVATIVES N.V. ORGANON (NL) 2009-11-19 WO disclosed
CN-100528154-C Malonyl-COA decarboxylase inhibitors useful as metabolic modulators CHUGAL SEIYAKU K K (JP) 2009-08-19 CN disclosed
US-7524969-B2 Malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-28 US disclosed
CN-1537001-A Malonyl-COA decarboxylase inhibitors useful as metabolic modulators ������ҩ��ʽ���� 2004-10-13 CN disclosed
US-20040082576-A1 Malonyl-coa decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-04-29 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 (4 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-20140309207-A1 NOVEL SPIROINDOLINE COMPOUND, AND MEDICINAL AGENT COMPRISING SAME GCKR, GCK, GALK1 MLYCD 1391/4885
US-20100016259-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators MLYCD, ME3, ACACA MLYCD 1/4885
US-20100029621-A1 HEXAFLUOROISOPROPANOL DERIVATIVES FFAR2, FFAR3, FFAR1 MLYCD 1602/4885
US-20040082576-A1 Malonyl-coa decarboxylase inhibitors useful as metabolic modulators MLYCD, ME3, ACACA MLYCD 1/4885

“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.