Sugi Predict

Sugi Predict / Compounds / SCHEMBL831751

SCHEMBL831751

SCHEMBL831751

CCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C8 P10632 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 1/20 0.37
▸ EDNRB P24530 1/20 0.36
▸ PARG Q86W56 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ SCN5A Q14524 3/20 0.33
▸ SCN9A Q15858 3/20 0.33
▸ SCN2B O60939 1/20 0.33
▸ SCN1A P35498 1/20 0.33
▸ SCN1B Q07699 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ TPX2 Q9ULW0 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
SCHEMBL831963 0.97 CYP2C8 (0.40) CYP2C8KMT2AMEN1EDNRBPARG
SCHEMBL831787 0.97 CYP2C8 (0.40) CYP2C8KMT2AMEN1EDNRBPARG
SCHEMBL832356 0.93 CYP2C8 (0.40) CYP2C8KMT2AEDNRBSCN5ASCN9A
SCHEMBL831683 0.93 CYP2C8 (0.38) CYP2C8KMT2AMEN1EDNRBPTGDR2
SCHEMBL862404 0.91 CYP2C8 (0.40) CYP2C8KMT2AMEN1EDNRBSCN5A
SCHEMBL831956 0.91 CYP2C8 (0.40) CYP2C8KMT2AEDNRBSCN5ASCN9A
SCHEMBL862437 0.91 CYP2C8 (0.45) CYP2C8KMT2AMEN1SCN5ASCN9A
SCHEMBL831674 0.91 CYP2C8 (0.43) CYP2C8KMT2AMEN1PARGMAPT
SCHEMBL862159 0.91 KMT2A (0.42) CYP2C8KMT2AMEN1PARGMAPT
SCHEMBL831822 0.91 CYP2C8 (0.45) CYP2C8KMT2AMEN1SCN5ASCN9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197842-B1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORP (US) 2012-05-23 — — EP disclosed
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
WO-2009032116-A1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-03-12 — — WO 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 847/4885KMT2A 321/4885MEN1 2084/4885

“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.