SCHEMBL862857

SCHEMBL862857

COc1ncccc1-c1c(C(=O)O)n(Cc2cc(F)ccc2F)c2c1=CC([C@H]1C[C@H]1C)CC=2

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.34
DHODH Q02127 2/20 0.32
NAAA Q02083 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
HTT P42858 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
PPARG P37231 1/20 0.31
ROCK2 O75116 1/20 0.31
KCNH2 Q12809 1/20 0.31
MARK2 Q7KZI7 1/20 0.31
HIF1A Q16665 1/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
DPP4 P27487 1/20 0.30
MLNR O43193 1/20 0.30
GPR6 P46095 1/20 0.30

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
SCHEMBL12655673 1.00 FFAR4 (0.34) FFAR4DHODHNAAAHTR2AHTR2C
SCHEMBL862502 0.94 GPR6 (0.35) FFAR4NAAAKCNH2MARK2MLNR
SCHEMBL10255450 0.92 EED (0.34) FFAR4NAAAHTR2AHTR2CHTR2B
SCHEMBL862471 0.90 SCN9A (0.38) GPR6
SCHEMBL862830 0.86 ALDH1A1 (0.34) FFAR4NAAAALDH1A1MLNRGPR6
SCHEMBL862252 0.84 SCN9A (0.38) NAAAGPR6
SCHEMBL12674114 0.83 CYP2C8 (0.40) DPP4
SCHEMBL12624289 0.77 HTR2A (0.36) FFAR4HTR2AHTR2CHTR2BPPARG
SCHEMBL10143359 0.77 FFAR4 (0.36) FFAR4DHODHHTR2AHTR2CHTR2B
SCHEMBL832329 0.77 HTR2A (0.36) FFAR4HTR2AHTR2CHTR2BPPARG

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 3 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-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 (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-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS IDO1, IDO2, ZC3HAV1 FFAR4 4524/4885DHODH 2074/4885NAAA 1519/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 FFAR4 4134/4885DHODH 2413/4885NAAA 822/4885

“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.