Sugi Predict

Sugi Predict / Compounds / SCHEMBL480261

SCHEMBL480261

SCHEMBL480261

COc1cncc(-c2ccc(C(C)(c3ccc(-c4ccc(S(C)(=O)=O)nn4)cn3)C(C)C)cc2)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 3/20 0.75
▸ MKNK1 Q9BUB5 1/20 0.36
▸ MKNK2 Q9HBH9 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ CTPS1 P17812 1/20 0.36
▸ KCNH2 Q12809 2/20 0.35
▸ FYN P06241 2/20 0.35
▸ CYP11B1 P15538 5/20 0.34
▸ CYP11B2 P19099 5/20 0.34
▸ CYP1A2 P05177 4/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MAP4K4 O95819 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ MINK1 Q8N4C8 1/20 0.33
▸ PI4KB Q9UBF8 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL3001360 0.91 ALOX5AP (0.61) ALOX5APMKNK1MKNK2PTGS2CTPS1
SCHEMBL480265 0.87 ALOX5AP (0.80) ALOX5APMKNK1MKNK2PTGS2CTPS1
SCHEMBL480262 0.86 ALOX5AP (0.82) ALOX5APMKNK1MKNK2PTGS2CTPS1
SCHEMBL480275 0.86 ALOX5AP (1.00) ALOX5APMKNK1MKNK2CTPS1CYP11B1
SCHEMBL10198938 0.86 ALOX5AP (0.79) ALOX5APMKNK1MKNK2CTPS1CYP11B1
SCHEMBL480286 0.86 ALOX5AP (1.00) ALOX5APMKNK1MKNK2CTPS1CYP11B1
SCHEMBL480257 0.83 ALOX5AP (0.77) ALOX5APMKNK1MKNK2CTPS1FYN
SCHEMBL9924164 0.82 ALOX5AP (0.76) ALOX5APMKNK1MKNK2PTGS2CYP11B1
SCHEMBL13230253 0.81 ALOX5AP (0.72) ALOX5APKCNH2FYNMAP4K4PIK3CA
SCHEMBL13230255 0.79 ALOX5AP (0.57) ALOX5APKCNH2FYNMAP4K4PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440672-B2 Diphenyl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-05-14 — — US claimed
EP-2064204-B1 INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) MERCK SHARP & DOHME (US) 2012-02-01 — — EP claimed
US-20100168076-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-01 — — US claimed
US-8440672-B2 Diphenyl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-05-14 — — US disclosed
US-8440672-B2 Diphenyl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-05-14 — — US disclosed
US-8440672-B2 Diphenyl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-05-14 — — US disclosed
EP-2064204-B1 INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) MERCK SHARP & DOHME (US) 2012-02-01 — — EP disclosed
US-20100168076-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-01 — — US disclosed
US-20100168076-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-01 — — 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 (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-20100168076-A1 DIPHENYL SUBSTITUTED ALKANES ALOX5, ALOX15, ALOX15B ALOX5AP 14/4885MKNK1 4255/4885MKNK2 4251/4885

“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.