SCHEMBL832178

SCHEMBL832178

COc1ncccc1-c1c(C(=O)O)n(CC2CCCCC2)c2ccc(Cl)cc12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.39
PLA2G2A P14555 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
KRAS P01116 3/20 0.38
FPR1 P21462 1/20 0.37
FPR2 P25090 1/20 0.37
CNR1 P21554 3/20 0.37
PTGER1 P34995 2/20 0.37
PIK3CA P42336 1/20 0.36
TACR1 P25103 1/20 0.36
HRH1 P35367 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
CNR2 P34972 1/20 0.35
PTGER4 P35408 1/20 0.35

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
SCHEMBL832733 0.90 PLA2G2A (0.40) MAPK8PLA2G2APTGDR2KRASFPR1
SCHEMBL832301 0.81 PTGDR2 (0.42) PTGDR2
SCHEMBL829937 0.79 SCN9A (0.38) PTGDR2KRASFPR1FPR2
SCHEMBL12673733 0.78 CYP2C8 (0.46) MAPK8PTGDR2KRASCNR1TACR1
SCHEMBL388312 0.77 FNTA (0.44) KRAS
SCHEMBL12665412 0.75 SERPINE1 (0.44) MAPK8PTGDR2
SCHEMBL830670 0.73 CCR2 (0.40) PTGDR2PTGER1
SCHEMBL831838 0.72 PDE4A (0.42) PLA2G2APTGDR2
SCHEMBL12624448 0.71 PTGDR2 (0.43) PTGDR2
SCHEMBL829209 0.71 ACP1 (0.34) KRASFPR1FPR2FFAR4

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-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SHERING CORPORATION 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-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 MAPK8 4136/4885PLA2G2A 3678/4885PTGDR2 1609/4885
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, INMT MAPK8 3966/4885PLA2G2A 4022/4885PTGDR2 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.