SCHEMBL862043

SCHEMBL862043

CS(=O)(=O)Nc1cccc(S(=O)(=O)NC(=O)c2c(-c3ccc[nH]c3=O)c3cc(Cl)ccc3n2Cc2ccc3c(c2)NCC3)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.35
SERPINE1 P05121 4/20 0.35
MCL1 Q07820 2/20 0.34
MAPK8 P45983 3/20 0.33
KMT2A Q03164 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
CYP2C8 P10632 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
RCE1 Q9Y256 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
SCHEMBL862656 0.91 KMT2A (0.37) PPARGMCL1MAPK8KMT2AHDAC3
SCHEMBL862296 0.90 PPARG (0.41) PPARGSERPINE1MCL1MAPK8KMT2A
SCHEMBL862488 0.89 SERPINE1 (0.38) PPARGSERPINE1MCL1MAPK8KMT2A
SCHEMBL10257144 0.88 SERPINE1 (0.38) PPARGSERPINE1MCL1MAPK8KMT2A
SCHEMBL862725 0.88 PPARG (0.43) PPARGSERPINE1MCL1
SCHEMBL862483 0.87 MCL1 (0.37) PPARGSERPINE1MCL1MAPK8KMT2A
SCHEMBL862192 0.87 PPARG (0.39) PPARGSERPINE1MCL1MAPK8KMT2A
SCHEMBL862465 0.86 PPARG (0.40) PPARGSERPINE1MCL1MAPK8KMT2A
SCHEMBL10257520 0.86 MCL1 (0.37) PPARGSERPINE1MCL1MAPK8KMT2A
SCHEMBL862329 0.86 PPARG (0.40) PPARGSERPINE1MCL1KMT2ACYP2C8

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 PPARG 4093/4885SERPINE1 3846/4885MCL1 872/4885

“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.