Sugi Predict

Sugi Predict / Compounds / SCHEMBL2662887

SCHEMBL2662887

SCHEMBL2662887

CC(C)(C)c1ccc2ccc(OC(F)(F)F)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 3/20 0.49
▸ EPHX2 P34913 1/20 0.41
▸ NR1H4 Q96RI1 1/20 0.41
▸ GPR3 P46089 4/20 0.41
▸ PIM1 P11309 1/20 0.39
▸ CES1 P23141 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ GMNN O75496 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ NFKB1 P19838 1/20 0.37

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
SCHEMBL16281934 0.85 ABL1 (0.38) TRPV1NPC1RAB9AGAACYP1A2
SCHEMBL13019832 0.81 KIF11 (0.40) TRPV1NPC1RAB9AGAACYP1A2
SCHEMBL12251344 0.79 CYP1A2 (0.57) NPC1RAB9ALMNACYP1A2ALOX15
SCHEMBL101989 0.78 TRPV1 (0.62) TRPV1EPHX2NR1H4NPC1RAB9A
SCHEMBL7521505 0.78 ALDH1A1 (0.50) NPC1RAB9AGAALMNACYP1A2
SCHEMBL30010643 0.78 ALDH1A1 (0.50) NPC1RAB9AGAALMNACYP1A2
SCHEMBL2662744 0.78 GPR3 (0.56) GPR3PIM1CES1NPC1RAB9A
SCHEMBL17816158 0.77 CYP1A2 (0.52) GPR3PIM1NPC1RAB9AGAA
SCHEMBL2723529 0.77 CYP1A2 (0.52) GPR3PIM1NPC1RAB9AGAA
SCHEMBL18210644 0.77 KIF11 (0.55) TRPV1PIM1GAAPKMALOX15

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 TRPV1 3397/4885EPHX2 1633/4885NR1H4 1082/4885
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 TRPV1 4577/4885EPHX2 3832/4885NR1H4 527/4885

“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.