SCHEMBL1929381

SCHEMBL1929381

CC(C)(C)c1cc(-c2csc(CO)n2)cc(C(C)(C)C)c1O

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.72
CNR1 P21554 6/20 0.51
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
PTGS1 P23219 2/20 0.44
PTGS2 P35354 2/20 0.44
SCN9A Q15858 1/20 0.41
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
APEX1 P27695 1/20 0.40
RECQL P46063 1/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40

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
SCHEMBL1928747 0.87 CNR2 (0.71) CNR2CNR1CA1CA2PTGS1
SCHEMBL197161 0.87 CNR2 (0.71) CNR2CNR1CA1CA2PTGS1
Hydrochloric Acid SCHEMBL4576062 0.85 CNR2 (0.69) CNR2CNR1CA1CA2PTGS1
SCHEMBL1927474 0.84 CNR2 (0.67) CNR2CNR1CA1CA2PTGS1
SCHEMBL2348536 0.84 CNR2 (1.00) CNR2CNR1CA1CA2PTGS1
SCHEMBL5097779 0.84 CNR2 (0.67) CNR2CNR1CA1CA2PTGS1
SCHEMBL1926401 0.84 CNR2 (0.67) CNR2CNR1CA1CA2PTGS1
Hydrochloric Acid SCHEMBL1928142 0.83 CNR2 (0.66) CNR2CNR1CA1CA2PTGS1
Hydrochloric Acid SCHEMBL1927169 0.83 CNR2 (0.97) CNR2CNR1CA1CA2PTGS1
SCHEMBL1927938 0.82 CNR2 (0.64) CNR2CNR1CA1CA2PTGS1

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1589007-B1 5-membered heterocycle derivatives, production thereof and their use as medicaments IPSEN PHARMA (FR) 2015-06-03 EP claimed
CN-101559053-A 5-membered heterocycle derivatives, production thereof and use thereof as medicaments SOD CONSEILS RECH APPLIC (FR) 2009-10-21 CN claimed
CN-100488506-C 5-membered heterocyclic derivatives, their preparation and their use as medicaments SOD CONSEILS RECH APPLIC (FR) 2009-05-20 CN claimed
US-20080146627-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments LASSAUNIERE PIERRE-ETIENNE CHA 2008-06-19 US claimed
EP-1589007-A2 5-membered heterocycle derivatives, production thereof and their use as medicaments Societe de Conseils de Recherches et d'Applications Scientifiques (S.C.R.A.S) SAS (FR) 2005-10-26 EP claimed
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 claimed
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 claimed
CN-1391474-A 5-membered heterocyclic derivatives, their preparation and their use as medicaments SOD CONSEILS RECH APPLIC (FR) 2003-01-15 CN claimed
EP-1223933-A2 5-MEMBERED HETEROCYCLE DERIVATIVES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-07-24 EP claimed
WO-2001026656-A2 5-MEMBERED HETEROCYCLE DERIVATIVES AND USE THEREOF AS MONOAMINE OXIDASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-04-19 WO claimed
EP-1675836-B1 DERIVATIVES OF 4-PHENYLTHIAZOLES AND THE USE THEREOF AS MEDICAMENTS FOR TREATING NEURODEGENERATIVE DISEASES, PAIN AND EPILEPSY IPSEN PHARMA (FR) 2016-04-13 EP disclosed
EP-1589007-B1 5-membered heterocycle derivatives, production thereof and their use as medicaments IPSEN PHARMA (FR) 2015-06-03 EP disclosed
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
EP-1228760-B1 5-membered heterocycle derivatives, production thereof and use thereof as medicaments IPSEN PHARMA (FR) 2011-08-31 EP 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
EP-1228760-A2 5-membered heterocycle derivatives, production thereof and use thereof as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-08-07 EP disclosed
EP-1223933-A2 5-MEMBERED HETEROCYCLE DERIVATIVES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-07-24 EP disclosed
WO-2001026656-A2 5-MEMBERED HETEROCYCLE DERIVATIVES AND USE THEREOF AS MONOAMINE OXIDASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-04-19 WO disclosed
US-5137897-A Nonsteroidal antiinflammatory agents; therapy for rheumatic diseases HOECHST AKTIENGESLLSCHAFT (DE) 1992-08-11 US disclosed
EP-0432740-A2 2-Substituted 4-(3-alkyl-5-tert.-butyl-4-hydroxy-phenyl)-thiazole, process for their preparation, medicaments containing them and their utilization HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-19 EP 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 13/4885CA1 3405/4885
US-20040132788-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OPRK1, HCN1, P2RX7 CNR2 15/4885CNR1 5/4885CA1 2593/4885
US-20110172434-A1 DERIVATIVES OF HETEROCYCLES WITH 5 MEMBERS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS OXER1, OPRL1, CHRNA7 CNR2 27/4885CNR1 17/4885CA1 3221/4885
US-20080146627-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OXER1, OPRL1, P2RX7 CNR2 55/4885CNR1 27/4885CA1 2677/4885

“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.