Sugi Predict

Sugi Predict / Compounds / SCHEMBL2644894

SCHEMBL2644894

SCHEMBL2644894

COc1ccc2cc(-c3cc(-c4cc(C(F)(F)F)ccc4F)nn3[C@@H](C)c3ccc(C(=O)O)cc3)ccc2c1

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 20/20 0.80
▸ GIPR P48546 10/20 0.80
▸ VIPR2 P41587 4/20 0.61
▸ GLP1R P43220 2/20 0.61
▸ KCNH2 Q12809 1/20 0.56
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2C8 P10632 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2B6 P20813 1/20 0.55
▸ VIPR1 P32241 1/20 0.55
▸ DUSP2 Q05923 1/20 0.55

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
SCHEMBL2657857 1.00 GCGR (0.80) GCGRGIPRVIPR2GLP1RKCNH2
SCHEMBL2643224 0.92 GCGR (0.68) GCGRGIPRVIPR2GLP1RKCNH2
SCHEMBL4617619 0.92 GCGR (0.68) GCGRGIPRVIPR2GLP1RKCNH2
SCHEMBL2657768 0.91 GCGR (0.75) GCGRGIPRVIPR2GLP1RKCNH2
SCHEMBL2645262 0.91 GCGR (0.75) GCGRGIPRVIPR2GLP1RKCNH2
SCHEMBL2662897 0.89 GCGR (1.00) GCGRGIPRVIPR2GLP1RKCNH2
SCHEMBL2645995 0.89 GCGR (1.00) GCGRGIPRVIPR2GLP1RKCNH2
SCHEMBL2643194 0.88 GCGR (0.66) GCGRGIPRVIPR2GLP1RKCNH2
SCHEMBL16829705 0.87 GCGR (0.84) GCGRGIPRVIPR2GLP1RKCNH2
SCHEMBL21882863 0.87 GCGR (0.83) GCGRGIPRVIPR2GLP1RKCNH2

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-7799818-B2 Pyrazole derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2010-09-21 — — US disclosed
US-7598285-B2 Pyrazole derivatives, compositions containing such compounds and methods of use MERCK & CO., INC (US) 2009-10-06 — — US disclosed
US-20090176854-A1 N-[4-((1S)-1-{3-(3,5-Dichlorophenyl)-5-[6-(trifluoromethoxy)-2-naphthyl]-1H-pyrazol-1-yl}ethyl)benzoyl]- beta -alanine; type 2 diabetes, hyperglycemia, or insulin resistance MERCK SHARP & DOHME LLC 2009-07-09 — — US disclosed
EP-1756064-B1 PYRAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 2008-05-14 — — EP disclosed
US-20050272794-A1 Pyrazole derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME LLC 2005-12-08 — — 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-20050272794-A1 Pyrazole derivatives, compositions containing such compounds and methods of use PC, GOT2, PNLIP GCGR 188/4885GIPR 205/4885VIPR2 1017/4885
US-20090176854-A1 N-[4-((1S)-1-{3-(3,5-Dichlorophenyl)-5-[6-(trifluoromethoxy)-2-naphthyl]-1H-pyrazol-1-yl}ethyl)benzoyl]- beta -alanine; type 2 diabetes, hyperglycemia, or insulin resistance GOT2, GOT1, IAPP GCGR 189/4885GIPR 177/4885VIPR2 2173/4885

“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.