SCHEMBL10258012

SCHEMBL10258012

CCS(=O)(=O)Nc1cccc(S(=O)(=O)NC(=O)c2c(-c3ccc[nH]c3=O)c3cc(Cl)ccc3n2Cc2ccc(F)cc2F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.38
PPARG P37231 6/20 0.35
BRD4 O60885 3/20 0.35
RIPK3 Q9Y572 1/20 0.34
EP300 Q09472 1/20 0.33
CCR1 P32246 1/20 0.33
CCR2 P41597 1/20 0.33
PTGDR2 Q9Y5Y4 3/20 0.33
MEN1 O00255 2/20 0.33
HPGD P15428 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
EPHX2 P34913 1/20 0.32
FBP1 P09467 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
SCHEMBL862901 0.94 CYP2C8 (0.39) CYP2C8PPARGBRD4RIPK3CCR1
SCHEMBL10255027 0.93 CYP2C8 (0.40) CYP2C8PPARGCCR1CCR2PTGDR2
SCHEMBL10255303 0.91 CYP2C8 (0.39) CYP2C8PPARGRIPK3PTGDR2MEN1
SCHEMBL862466 0.91 CYP2C8 (0.36) CYP2C8PPARGBRD4RIPK3CCR1
SCHEMBL862494 0.91 PPARG (0.42) CYP2C8PPARGBRD4EP300KMT2A
SCHEMBL862268 0.90 AGTR1 (0.40) CYP2C8PPARGRIPK3MEN1HPGD
SCHEMBL831326 0.90 CYP2C8 (0.40) CYP2C8PPARGCCR1CCR2PTGDR2
SCHEMBL862042 0.90 CYP2C8 (0.38) CYP2C8PPARGRIPK3PTGDR2MEN1
SCHEMBL862590 0.89 CYP2C8 (0.39) CYP2C8PPARGCCR1CCR2PTGDR2
SCHEMBL862574 0.87 CYP2C8 (0.41) CYP2C8PPARGPTGDR2MEN1HPGD

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 2 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-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 CYP2C8 847/4885PPARG 4093/4885BRD4 65/4885

“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.