SCHEMBL831401

SCHEMBL831401

CCc1ccc2c(c1)c(-c1ccc(C)[nH]c1=O)c(C(=O)NS(C)(=O)=O)n2Cc1ccc(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.38
PPARG P37231 2/20 0.37
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
SCN9A Q15858 3/20 0.35
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
CYP2C9 P11712 1/20 0.34
CYP2B6 P20813 1/20 0.34
CYP2C19 P33261 1/20 0.34
PTGDR Q13258 1/20 0.34
TP53 P04637 1/20 0.34
DHODH Q02127 1/20 0.33
PER2 O15055 1/20 0.33
CRY1 Q16526 1/20 0.33
CRY2 Q49AN0 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
SCHEMBL831757 0.94 PTGDR2 (0.38) PTGDR2PPARGHDAC1HDAC8HDAC6
SCHEMBL862506 0.91 KMT2A (0.41) PTGDR2PPARGSCN9ATP53SCN2B
SCHEMBL831568 0.90 PTGDR2 (0.36) PTGDR2PPARGHDAC1HDAC8HDAC6
SCHEMBL10257269 0.87 CYP2C8 (0.40) PTGDR2PPARGHDAC1HDAC8HDAC6
SCHEMBL831747 0.86 PTGER3 (0.38) PPARGSCN9ATP53
SCHEMBL831032 0.84 PTGDR2 (0.36) PTGDR2HDAC1HDAC8HDAC6SCN9A
SCHEMBL831842 0.83 KMT2A (0.39) PTGDR2CYP2C8TP53
SCHEMBL832286 0.82 PTGDR2 (0.37) PTGDR2PPARGHDAC1HDAC8HDAC6
SCHEMBL832157 0.82 KMT2A (0.38) PTGDR2SCN9ACYP2C9TP53SCN2B
SCHEMBL832279 0.81 PTGDR2 (0.36) PTGDR2PPARGSCN9ACYP1A2CYP3A4

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 1609/4885PPARG 4093/4885HDAC1 1123/4885

“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.