Sugi Predict

Sugi Predict / Compounds / SCHEMBL604704

SCHEMBL604704

SCHEMBL604704

CC(C)(c1ccc(Cl)c(Cl)c1)c1cnc(S(=O)(=O)Cc2c(F)cccc2Cl)n1-c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 8/20 0.54
▸ KDM4E B2RXH2 2/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ AKR1B1 P15121 1/20 0.36
▸ NPSR1 Q6W5P4 4/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ GRM4 Q14833 2/20 0.33
▸ MITF O75030 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TSHR P16473 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ NPY1R P25929 1/20 0.33
▸ NPY2R P49146 1/20 0.33
▸ GAA P10253 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
SCHEMBL601916 0.95 GPBAR1 (0.60) GPBAR1KDM4EKMT2AAKR1B1MAPK1
SCHEMBL605655 0.95 GPBAR1 (0.53) GPBAR1KDM4EKMT2AAKR1B1NPSR1
SCHEMBL605654 0.90 GPBAR1 (0.56) GPBAR1KMT2A
SCHEMBL601853 0.86 GPBAR1 (0.51) GPBAR1KDM4EKMT2AAKR1B1NPSR1
SCHEMBL603619 0.86 GPBAR1 (0.51) GPBAR1KDM4EKMT2AAKR1B1NPSR1
SCHEMBL601823 0.84 GPBAR1 (0.69) GPBAR1
SCHEMBL13259929 0.82 GPBAR1 (0.50) GPBAR1KDM4EKMT2AAKR1B1
SCHEMBL602167 0.82 GPBAR1 (0.46) GPBAR1LMNAMAPT
SCHEMBL601308 0.82 GPBAR1 (0.58) GPBAR1MAPK1TSHR
SCHEMBL604936 0.81 GPBAR1 (0.48) GPBAR1GRM4

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-8785488-B2 Triazole and imidazole derivatives for use as TGR5 agonists in the treatment of diabetes and obesity EXELIXIS PATENT COMPANY LLC (US) 2014-07-22 — — US claimed
US-20120040985-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY EXELIXIS PATENT COMPANY LLC (US) 2012-02-16 — — US claimed
US-8785488-B2 Triazole and imidazole derivatives for use as TGR5 agonists in the treatment of diabetes and obesity EXELIXIS PATENT COMPANY LLC (US) 2014-07-22 — — US disclosed
US-20120040985-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY EXELIXIS PATENT COMPANY LLC (US) 2012-02-16 — — US disclosed
WO-2010093845-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY EXELIXIS, INC. (US) 2010-08-19 — — WO 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 (1 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-20120040985-A1 TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY GPR119, GLP1R, GCGR GPBAR1 8/4885KDM4E 2795/4885KMT2A 3949/4885

“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.