SCHEMBL4938480

SCHEMBL4938480

CC(C)(C)c1cc(-c2csc(C3(NC(=O)O)CCCC3)n2)cc(C(C)(C)C)c1O

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.62
CNR1 P21554 8/20 0.62
DPP4 P27487 3/20 0.36
DPP8 Q6V1X1 2/20 0.36
DPP9 Q86TI2 2/20 0.36
DPP7 Q9UHL4 2/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
PTGS2 P35354 4/20 0.35
PTGS1 P23219 3/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL6520138 0.90 CNR2 (0.77) CNR2CNR1MGAMGAASI
SCHEMBL6526786 0.79 CNR2 (0.61) CNR2CNR1DPP4DPP8DPP9
SCHEMBL4934621 0.79 CNR2 (0.80) CNR2CNR1MGAMGAASI
SCHEMBL2774342 0.77 CNR2 (0.61) CNR2CNR1MGAMGAASI
SCHEMBL2771943 0.77 CNR2 (0.61) CNR2CNR1MGAMGAASI
SCHEMBL2774400 0.76 CNR2 (1.00) CNR2CNR1MGAMGAASI
SCHEMBL1927934 0.76 CNR2 (0.84) CNR2CNR1MGAMGAASI
Hydrochloric Acid SCHEMBL6521926 0.76 CNR2 (0.98) CNR2CNR1MGAMGAASI
SCHEMBL2774825 0.74 CNR2 (0.78) CNR2CNR1MGAMGAASI
SCHEMBL23573214 0.74 ALDH1A1 (0.40) CNR2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-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 294/4885DPP4 8/4885
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 202/4885DPP4 24/4885

“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.