SCHEMBL4937032

SCHEMBL4937032

CCOC(=O)CN(Cc1nc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cs1)C(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.56
CNR1 P21554 6/20 0.39
MAPT P10636 2/20 0.37
RECQL P46063 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
APEX1 P27695 1/20 0.37
GSTO1 P78417 2/20 0.36
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
L3MBTL1 Q9Y468 4/20 0.33
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 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
SCHEMBL4934476 0.88 CNR2 (0.60) CNR2CNR1MAPTRECQLKDM4E
SCHEMBL1926633 0.87 CNR2 (0.64) CNR2CNR1MAPTRECQLKDM4E
SCHEMBL5800841 0.83 CNR2 (0.59) CNR2CNR1MAPTRECQLKDM4E
SCHEMBL1930259 0.82 CNR2 (0.69) CNR2CNR1MAPTRECQLKDM4E
SCHEMBL9585436 0.79 CNR2 (0.57) CNR2CNR1MAPTRECQLKDM4E
SCHEMBL1927755 0.78 CNR2 (0.68) CNR2CNR1MAPTRECQLKDM4E
SCHEMBL1927269 0.77 CNR2 (0.60) CNR2CNR1MAPTRECQLKDM4E
SCHEMBL1929329 0.76 CNR2 (0.60) CNR2CNR1MAPTRECQLKDM4E
SCHEMBL1928315 0.76 CNR2 (0.54) CNR2CNR1MAPTRECQLKDM4E
SCHEMBL2348536 0.73 CNR2 (1.00) CNR2CNR1GAAPTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080108683-A1 4-PHENYLTHIAZOLE AND 4-PHENYLIMIDIZOLE DERIVATIVES AND THEIR USE AS MEDICAMENTS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES, PAIN AND EPILEPSY SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) 2008-05-08 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-20070054900-A1 4-Phenlthiazole and 4-phenylimidizole derivatives and their use as medicaments for the treatment of neurodegenerative diseases, pain and epilepsy SOCIETE DE CONSEILS DE RECHERCHES ET (FR) 2007-03-08 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 22/4885CNR1 13/4885MAPT 1601/4885
US-20040132788-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OPRK1, HCN1, P2RX7 CNR2 15/4885CNR1 5/4885MAPT 1306/4885
US-20080108683-A1 4-PHENYLTHIAZOLE AND 4-PHENYLIMIDIZOLE DERIVATIVES AND THEIR USE AS MEDICAMENTS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES, PAIN AND EPILEPSY TPMT, MAPT, TRPV4 CNR2 166/4885CNR1 294/4885MAPT 2/4885
US-20070054900-A1 4-Phenlthiazole and 4-phenylimidizole derivatives and their use as medicaments for the treatment of neurodegenerative diseases, pain and epilepsy TPMT, P2RX4, CACNA1I CNR2 109/4885CNR1 202/4885MAPT 4/4885

“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.