Sugi Predict

Sugi Predict / Compounds / SCHEMBL2662889

SCHEMBL2662889

SCHEMBL2662889

CC(C)(C)c1ccc2cccc(OC(F)(F)F)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MAPK14 Q16539 1/20 0.39
▸ ACHE P22303 2/20 0.38
▸ PTPRC P08575 1/20 0.36
▸ KIF11 P52732 2/20 0.36
▸ TRPV1 Q8NER1 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ BCHE P06276 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SLC40A1 Q9NP59 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ SCN9A Q15858 2/20 0.34
▸ ALPL P05186 1/20 0.33
▸ TRPA1 O75762 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
SCHEMBL2662888 0.87 KDM4E (0.40) KDM4EALDH1A1HSD17B10MAPK14ACHE
SCHEMBL18114641 0.81 MAPK14 (0.50) KDM4EALDH1A1HSD17B10MAPK14ACHE
SCHEMBL14202870 0.80 CYP2A6 (0.52) KDM4EALDH1A1HSD17B10ACHEBCHE
SCHEMBL26029169 0.77 HTR1B (0.44) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL2643936 0.77 ALPL (0.41) KDM4EALDH1A1HSD17B10ACHESLC40A1
SCHEMBL3120591 0.75 KDM4E (0.53) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL25005941 0.75 PTPRC (0.49) KDM4EMAPK14ACHEPTPRCKIF11
SCHEMBL23479293 0.74 KIF11 (0.41) ALDH1A1HSD17B10MAPK14ACHEPTPRC
SCHEMBL29953669 0.73 CA1 (0.44) KDM4EALDH1A1HSD17B10SLC40A1
SCHEMBL2644418 0.73 CA1 (0.44) KDM4EALDH1A1HSD17B10SLC40A1

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 4 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
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 KDM4E 4338/4885ALDH1A1 1729/4885HSD17B10 688/4885
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 KDM4E 4387/4885ALDH1A1 800/4885HSD17B10 578/4885

“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.