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SCHEMBL862331

SCHEMBL862331

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 2/20 0.41
▸ GRIN2B Q13224 2/20 0.41
▸ PTGDR2 Q9Y5Y4 4/20 0.36
▸ GPBAR1 Q8TDU6 4/20 0.35
▸ MAT2A P31153 1/20 0.34
▸ KCNA3 P22001 1/20 0.34
▸ SCN5A Q14524 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ PPARG P37231 2/20 0.33
▸ MAP2K4 P45985 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ GNRHR P30968 1/20 0.33
▸ F2RL3 Q96RI0 1/20 0.33
▸ KDM4E B2RXH2 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
SCHEMBL387902 0.93 GRIN1 (0.41) GRIN1GRIN2BPTGDR2GPBAR1MAT2A
SCHEMBL832602 0.91 PTGDR2 (0.39) GRIN1GRIN2BPTGDR2KCNA3SCN5A
SCHEMBL832215 0.85 KMT2A (0.40) PTGDR2KDM4E
SCHEMBL830067 0.83 GRIN1 (0.43) GRIN1GRIN2BPTGDR2GPBAR1MAT2A
SCHEMBL3693959 0.82 GRIN1 (0.42) GRIN1GRIN2BPTGDR2GPBAR1MAT2A
SCHEMBL8860029 0.82 GRIN1 (0.41) GRIN1GRIN2BPTGDR2GPBAR1GNRHR
SCHEMBL829913 0.78 PPARG (0.42) GRIN1GRIN2BPTGDR2GPBAR1SCN5A
SCHEMBL829047 0.75 KMT2A (0.52) PTGDR2KDM4E
SCHEMBL830573 0.74 KMT2A (0.51) KDM4E
SCHEMBL829616 0.74 KMT2A (0.50) KDM4E

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-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
WO-2009032123-A2 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-03-12 — — WO 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 GRIN1 2621/4885GRIN2B 3099/4885PTGDR2 2993/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 GRIN1 2446/4885GRIN2B 1641/4885PTGDR2 1609/4885
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, INMT GRIN1 1326/4885GRIN2B 885/4885PTGDR2 1303/4885

“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.