Sugi Predict

Sugi Predict / Compounds / SCHEMBL832602

SCHEMBL832602

SCHEMBL832602

COc1ncccc1-c1c(C(=O)OC(C)(C)C)n(Cc2cccc(F)c2C)c2ccc(C)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 9/20 0.39
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CMA1 P23946 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ KCNA3 P22001 2/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ MGAM O43451 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
SCHEMBL832215 0.94 KMT2A (0.40) PTGDR2MEN1KMT2AKCNH2MGAM
SCHEMBL862331 0.91 GRIN1 (0.41) PTGDR2GRIN1GRIN2BROCK2KCNA3
SCHEMBL387902 0.84 GRIN1 (0.41) PTGDR2GRIN1GRIN2BMEN1KMT2A
SCHEMBL829047 0.83 KMT2A (0.52) PTGDR2MEN1KMT2AMGAMGAA
SCHEMBL830093 0.82 KMT2A (0.45) PTGDR2MEN1KMT2AFFAR4MGAM
SCHEMBL6123087 0.81 KMT2A (0.40) PTGDR2MEN1KMT2AKCNH2MGAM
SCHEMBL862510 0.77 KMT2A (0.40) PTGDR2MEN1KMT2AMGAMGAA
SCHEMBL830573 0.76 KMT2A (0.51) MEN1KMT2AGAA
SCHEMBL829616 0.75 KMT2A (0.50) MEN1KMT2AGAA
SCHEMBL14802290 0.74 LMNA (0.39) GRIN1GRIN2BCYP2C9CYP2C19ROCK2

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-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 — — US disclosed
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SHERING CORPORATION 2011-05-05 — — US disclosed
US-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-05-05 — — US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 — — 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 (3 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-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS IDO1, IDO2, ZC3HAV1 PTGDR2 2993/4885GRIN1 2621/4885GRIN2B 3099/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 PTGDR2 1609/4885GRIN1 2446/4885GRIN2B 1641/4885
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, INMT PTGDR2 1303/4885GRIN1 1326/4885GRIN2B 885/4885

“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.