SCHEMBL12895166

SCHEMBL12895166

CC(CC(N)=O)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 3/20 0.53
PLA2G2A P14555 3/20 0.53
PLA2G5 P39877 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
TRPM8 Q7Z2W7 1/20 0.46
GPR139 Q6DWJ6 1/20 0.46
AURKA O14965 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
CTSA P10619 1/20 0.42
EPHX1 P07099 1/20 0.42
MMP12 P39900 1/20 0.42

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
SCHEMBL22630849 1.00 PLA2G10 (0.53) PLA2G10PLA2G2APLA2G5L3MBTL1TRPM8
SCHEMBL17761208 1.00 PLA2G10 (0.53) PLA2G10PLA2G2APLA2G5L3MBTL1TRPM8
SCHEMBL12895271 0.84 L3MBTL1 (0.68) L3MBTL1TRPM8GPR139CTSAEPHX1
SCHEMBL22643601 0.84 L3MBTL1 (0.49) PLA2G10PLA2G2APLA2G5L3MBTL1TRPM8
SCHEMBL12835623 0.82 EPHX1 (0.50) PLA2G10PLA2G2APLA2G5EPHX1MMP12
SCHEMBL12895100 0.82 EPHX1 (0.50) PLA2G10PLA2G2APLA2G5EPHX1MMP12
SCHEMBL12836521 0.82 EPHX1 (0.50) PLA2G10PLA2G2APLA2G5EPHX1MMP12
SCHEMBL27649238 0.81 TRPM8 (0.49) PLA2G10PLA2G2APLA2G5L3MBTL1TRPM8
SCHEMBL11531884 0.80 PTGS1 (0.61) L3MBTL1
SCHEMBL21303055 0.79 HDAC4 (0.45) PLA2G10PLA2G2APLA2G5GPR139HDAC8

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
US-20210130285-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. 2021-05-06 US disclosed
EP-3755684-A1 ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS H. Lundbeck A/S (DK) 2020-12-30 EP disclosed
EP-2268140-B1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA INC (US) 2020-11-11 EP disclosed
US-10793515-B2 Compounds advantageous in the treatment of central nervous system diseases and disorders AURIMMED PHARMA, INC. (US) 2020-10-06 US disclosed
WO-2019161877-A1 ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS H. LUNDBECK A/S (DK) 2019-08-29 WO disclosed
US-20160137592-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. 2016-05-19 US disclosed
US-9206143-B2 Compounds advantageous in the treatment of central nervous system diseases and disorders AURIMMED PHARMA, INC. (US) 2015-12-08 US disclosed
US-20110046128-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. (US) 2011-02-24 US disclosed
US-20110046138-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. 2011-02-24 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 (5 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-20210130285-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS SMN1; SMN2, HDAC6, HDAC3 PLA2G10 3287/4885PLA2G2A 3213/4885PLA2G5 4153/4885
US-20110046128-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS GAP43, CHRNA10, CHRNA6 PLA2G10 2878/4885PLA2G2A 3069/4885PLA2G5 3887/4885
US-20160137592-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS SMN1; SMN2, HDAC6, HDAC3 PLA2G10 3287/4885PLA2G2A 3213/4885PLA2G5 4153/4885
US-10793515-B2 Compounds advantageous in the treatment of central nervous system diseases and disorders SMN1; SMN2, HDAC6, CTSA PLA2G10 3534/4885PLA2G2A 3330/4885PLA2G5 4305/4885
US-20110046138-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS CHRNA10, CHRNA6, GAP43 PLA2G10 3363/4885PLA2G2A 3105/4885PLA2G5 3684/4885

“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.