SCHEMBL831032

SCHEMBL831032

CCc1ccc2c(c1)c(-c1ccc(C)[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1cc(F)ccc1F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.36
SCN9A Q15858 6/20 0.35
SCN5A Q14524 5/20 0.35
SCN2B O60939 2/20 0.35
SCN1B Q07699 2/20 0.35
SCN1A P35498 1/20 0.35
EDNRB P24530 1/20 0.34
HDAC1 Q13547 3/20 0.33
HDAC6 Q9UBN7 3/20 0.33
HDAC8 Q9BY41 1/20 0.33
CYP2C9 P11712 2/20 0.33
MOGAT2 Q3SYC2 2/20 0.33
ROCK2 O75116 1/20 0.33
AURKA O14965 1/20 0.32
TPX2 Q9ULW0 1/20 0.32
HTR7 P34969 1/20 0.31
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31

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
SCHEMBL831568 0.94 PTGDR2 (0.36) PTGDR2SCN9ASCN5ASCN2BSCN1B
SCHEMBL832157 0.92 KMT2A (0.38) PTGDR2SCN9ASCN5ASCN2BSCN1B
SCHEMBL831314 0.92 SCN9A (0.36) PTGDR2SCN9ASCN5ASCN2BSCN1B
SCHEMBL8860573 0.92 CYP2C9 (0.31) SCN9ASCN5ASCN2BSCN1BSCN1A
SCHEMBL831161 0.91 S1PR3 (0.32) SCN9ASCN5ASCN2BSCN1BSCN1A
SCHEMBL831757 0.90 PTGDR2 (0.38) PTGDR2SCN9ASCN5ASCN2BSCN1B
SCHEMBL831683 0.88 CYP2C8 (0.38) PTGDR2SCN9ASCN5ASCN2BSCN1B
SCHEMBL831027 0.87 PTGER3 (0.36) EDNRBAURKATPX2
SCHEMBL862295 0.86 HDAC1 (0.34) PTGDR2SCN9ASCN5ASCN2BSCN1B
SCHEMBL832279 0.86 PTGDR2 (0.36) PTGDR2SCN9ASCN5ASCN2BSCN1B

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 1609/4885SCN9A 3807/4885SCN5A 1398/4885

“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.