SCHEMBL832443

SCHEMBL832443

CC[S+]([O-])NC(=O)c1c(-c2ccc[nH]c2=O)c2cc(C)c(F)cc2n1Cc1cc2ccccc2nc1Cl

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.76
KMT2A Q03164 8/20 0.39
MEN1 O00255 2/20 0.34
RCE1 Q9Y256 1/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 1/20 0.33
FAAH O00519 1/20 0.32
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30

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
SCHEMBL862334 0.92 CYP2C8 (0.72) CYP2C8KMT2AMEN1RCE1KDM4E
SCHEMBL832521 0.87 CYP2C8 (0.57) CYP2C8KMT2AMEN1RCE1KDM4E
SCHEMBL12665818 0.87 CYP2C8 (0.88) CYP2C8KMT2AMEN1RCE1KDM4E
SCHEMBL12665480 0.87 CYP2C8 (1.00) CYP2C8KMT2AMEN1RCE1KDM4E
SCHEMBL12665473 0.86 CYP2C8 (0.84) CYP2C8KMT2AMEN1RCE1KDM4E
SCHEMBL12665636 0.86 CYP2C8 (0.78) CYP2C8KMT2AMEN1RCE1ALDH1A1
SCHEMBL832172 0.85 CYP2C8 (0.76) CYP2C8KMT2AMEN1RCE1KDM4E
SCHEMBL832518 0.85 CYP2C8 (0.79) CYP2C8KMT2AMEN1RCE1FAAH
SCHEMBL831646 0.84 CYP2C8 (0.74) CYP2C8KMT2AMEN1RCE1KDM4E
SCHEMBL12665831 0.81 CYP2C8 (0.78) CYP2C8KMT2AMEN1RCE1KDM4E

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.