SCHEMBL832286

SCHEMBL832286

Cc1ccc2c(c1)c(-c1ccc(C)[nH]c1=O)c(C(=O)NS(=O)(=O)C(C)C)n2Cc1ccc(F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.37
CYP2C9 P11712 2/20 0.34
PTGDR Q13258 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2B6 P20813 1/20 0.34
CYP2C19 P33261 1/20 0.34
PPARG P37231 5/20 0.34
RXFP1 Q9HBX9 1/20 0.34
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL832284 0.94 PTGDR2 (0.34) PTGDR2CYP2C9PTGDRCYP2C8RXFP1
SCHEMBL832279 0.88 PTGDR2 (0.36) PTGDR2CYP2C9PTGDRCYP1A2CYP3A4
SCHEMBL831919 0.86 TP53 (0.38) PTGDR2PPARGRXFP1MEN1ALDH1A1
SCHEMBL831842 0.83 KMT2A (0.39) PTGDR2CYP2C8MEN1ALDH1A1KMT2A
SCHEMBL831401 0.82 PTGDR2 (0.38) PTGDR2CYP2C9PTGDRCYP1A2CYP3A4
SCHEMBL831233 0.82 CYP2C8 (0.42) PTGDR2CYP2C9PTGDRCYP2C8RXFP1
SCHEMBL831314 0.81 SCN9A (0.36) PTGDR2CYP2C9
SCHEMBL831703 0.80 CYP2C8 (0.44) PTGDR2CYP2C8RXFP1MEN1ALDH1A1
SCHEMBL831568 0.79 PTGDR2 (0.36) PTGDR2CYP2C9PTGDRCYP1A2CYP3A4
SCHEMBL831196 0.79 CYP2C8 (0.43) PTGDR2CYP2C9PTGDRCYP1A2CYP3A4

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-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 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 (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-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 PTGDR2 1609/4885CYP2C9 2171/4885PTGDR 2339/4885

“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.