SCHEMBL831310

SCHEMBL831310

Cc1cc2c(-c3ccc[nH]c3=O)c(C(=O)NS(=O)(=O)C3CCC3)n(Cc3ccccc3F)c2cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.52
KMT2A Q03164 7/20 0.42
MEN1 O00255 4/20 0.35
ALDH1A1 P00352 1/20 0.34
SCN9A Q15858 4/20 0.33
SCN5A Q14524 3/20 0.33
SCN2B O60939 1/20 0.33
SCN1A P35498 1/20 0.33
SCN1B Q07699 1/20 0.33
AURKA O14965 1/20 0.33
TPX2 Q9ULW0 1/20 0.33
THRB P10828 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PSMD14 O00487 1/20 0.32
POLB P06746 1/20 0.32
DNMT1 P26358 1/20 0.32
APOBEC3A P31941 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL831380 0.97 CYP2C8 (0.54) CYP2C8KMT2AMEN1ALDH1A1SCN9A
SCHEMBL831764 0.91 CYP2C8 (0.42) CYP2C8KMT2AMEN1ALDH1A1SCN9A
SCHEMBL831822 0.91 CYP2C8 (0.45) CYP2C8KMT2AMEN1ALDH1A1SCN9A
SCHEMBL831949 0.89 CYP2C8 (0.51) CYP2C8KMT2AMEN1SCN9ASCN5A
SCHEMBL10257171 0.89 CYP2C8 (0.51) CYP2C8KMT2ASCN9ASCN5ASCN2B
SCHEMBL862437 0.89 CYP2C8 (0.45) CYP2C8KMT2AMEN1ALDH1A1SCN9A
SCHEMBL831123 0.89 CYP2C8 (0.46) CYP2C8KMT2AMEN1SCN9ASCN5A
SCHEMBL831202 0.88 CYP2C8 (0.57) CYP2C8KMT2AMEN1ALDH1A1SCN9A
SCHEMBL831787 0.88 CYP2C8 (0.40) CYP2C8KMT2AMEN1ALDH1A1KDM4E
SCHEMBL831674 0.88 CYP2C8 (0.43) CYP2C8KMT2AMEN1ALDH1A1SCN9A

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 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.