SCHEMBL1927593

SCHEMBL1927593

COc1c(C(C)(C)C)cc(-c2csc(CN(C)C(=O)OC(C)(C)C)n2)cc1C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.54
MEN1 O00255 3/20 0.38
L3MBTL1 Q9Y468 5/20 0.38
RAB9A P51151 5/20 0.38
MAPT P10636 3/20 0.38
CACNA1G O43497 1/20 0.37
CACNA1B Q00975 1/20 0.37
CACNA1C Q13936 1/20 0.37
ECE1 P42892 3/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
APEX1 P27695 1/20 0.36
RECQL P46063 1/20 0.36
CNR1 P21554 2/20 0.35
NPC1 O15118 3/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34

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
SCHEMBL1930259 0.89 CNR2 (0.69) CNR2L3MBTL1RAB9AMAPTCACNA1G
SCHEMBL2362414 0.86 CNR2 (0.44) CNR2MEN1L3MBTL1RAB9AMAPT
SCHEMBL1926300 0.84 CNR2 (0.49) CNR2MEN1L3MBTL1RAB9AMAPT
SCHEMBL1927269 0.83 CNR2 (0.60) CNR2MEN1L3MBTL1RAB9AMAPT
SCHEMBL1929390 0.82 CNR2 (0.41) CNR2MEN1L3MBTL1RAB9AMAPT
SCHEMBL4315638 0.81 CNR2 (0.50) CNR2MEN1L3MBTL1RAB9AMAPT
SCHEMBL5472242 0.79 CNR2 (0.47) CNR2MEN1L3MBTL1RAB9AMAPT
SCHEMBL1929878 0.79 RAB9A (0.47) CNR2MEN1L3MBTL1RAB9AMAPT
SCHEMBL1929329 0.79 CNR2 (0.60) CNR2MEN1L3MBTL1RAB9AMAPT
SCHEMBL2362105 0.79 CNR2 (0.43) CNR2MEN1L3MBTL1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288560-B2 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments IPSEN PHARMA S.A.S. (FR) 2012-10-16 US disclosed
US-20110172434-A1 DERIVATIVES OF HETEROCYCLES WITH 5 MEMBERS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS IPSEN PHARMA S.A.S. (FR) 2011-07-14 US disclosed
US-7956075-B2 Thiazole, oxazole, imidazole, isoxazole and isoxazoline derivatives, e.g., butyl 2-(4-[1,1'-biphenyl]-4-yl-1H-imidazol-2-yl)ethylcarbamate inhibit lipidic peroxidation and monoamine oxidase and modulate sodium channels and are used for treating neurodegenerative disorders or pain. IPSEN PHARMA S.A.S. (FR) 2011-06-07 US disclosed
EP-1379514-B1 5-MEMBERED HETEROCYCLES, PREPARATION AND APPLICATION THEREOF AS MEDICAMENTS IPSEN PHARMA (FR) 2009-07-15 EP disclosed
US-20080146627-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments LASSAUNIERE PIERRE-ETIENNE CHA 2008-06-19 US disclosed
US-7291641-B2 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2007-11-06 US disclosed
US-20050038087-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments IPSEN PHARMA S.A.S. (FR) 2005-02-17 US disclosed
US-20040132788-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-07-08 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-20050038087-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OXER1, OPRL1, OPRK1 CNR2 22/4885MEN1 4429/4885L3MBTL1 3850/4885
US-20040132788-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OPRK1, HCN1, P2RX7 CNR2 15/4885MEN1 4271/4885L3MBTL1 4056/4885
US-20110172434-A1 DERIVATIVES OF HETEROCYCLES WITH 5 MEMBERS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS OXER1, OPRL1, CHRNA7 CNR2 27/4885MEN1 4280/4885L3MBTL1 3632/4885
US-20080146627-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OXER1, OPRL1, P2RX7 CNR2 55/4885MEN1 4015/4885L3MBTL1 3283/4885

“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.