Sugi Predict

Sugi Predict / Compounds / SCHEMBL831202

SCHEMBL831202

SCHEMBL831202

Cc1cc2c(-c3ccc[nH]c3=O)c(C(=O)NS(C)(=O)=O)n(Cc3ccccc3F)c2cc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C8 P10632 1/20 0.57
▸ KMT2A Q03164 6/20 0.46
▸ SCN9A Q15858 3/20 0.37
▸ SCN2B O60939 2/20 0.37
▸ SCN1B Q07699 2/20 0.37
▸ SCN5A Q14524 2/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ PPARG P37231 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ PSMD14 O00487 1/20 0.34
▸ DNMT1 P26358 1/20 0.34
▸ APOBEC3A P31941 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.34
▸ APOBEC3G Q9HC16 1/20 0.34
▸ PTGDR2 Q9Y5Y4 2/20 0.34

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
SCHEMBL830778 0.92 CYP2C8 (0.54) CYP2C8KMT2ASCN9ASCN2BSCN1B
SCHEMBL862176 0.92 CYP2C8 (0.48) CYP2C8KMT2ASCN9ASCN2BSCN1B
SCHEMBL831531 0.91 CYP2C8 (0.48) CYP2C8KMT2ASCN9ASCN2BSCN1B
SCHEMBL831577 0.90 CYP2C8 (0.46) CYP2C8KMT2ASCN9ASCN2BSCN1B
SCHEMBL831380 0.90 CYP2C8 (0.54) CYP2C8KMT2ASCN9ASCN2BSCN1B
SCHEMBL831310 0.88 CYP2C8 (0.52) CYP2C8KMT2ASCN9ASCN2BSCN1B
SCHEMBL831347 0.87 CYP2C8 (0.43) CYP2C8KMT2ASCN9ASCN2BSCN1B
SCHEMBL831554 0.87 CYP2C8 (0.47) CYP2C8KMT2AMEN1ALDH1A1PPARG
SCHEMBL862351 0.87 CYP2C8 (0.43) CYP2C8KMT2ASCN9ASCN2BSCN1B
SCHEMBL12665084 0.87 CYP2C8 (0.73) CYP2C8KMT2AMEN1ALDH1A1KDM4E

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 321/4885SCN9A 3807/4885

“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.