SCHEMBL862465

SCHEMBL862465

CS(=O)(=O)Nc1cccc(S(=O)(=O)NC(=O)c2c(-c3ccc[nH]c3=O)c3cc(Cl)ccc3n2Cc2ccc(OC(F)F)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.40
SERPINE1 P05121 2/20 0.36
MCL1 Q07820 3/20 0.35
MAPK8 P45983 2/20 0.35
BRD4 O60885 1/20 0.34
PTGER4 P35408 1/20 0.34
BCL2 P10415 1/20 0.34
CYP2C8 P10632 1/20 0.34
KMT2A Q03164 1/20 0.33
P2RX3 P56373 1/20 0.33
ADRB3 P13945 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
SCHEMBL10260942 0.92 PPARG (0.48) PPARGSERPINE1
SCHEMBL862296 0.91 PPARG (0.41) PPARGSERPINE1MCL1MAPK8CYP2C8
SCHEMBL10257144 0.90 SERPINE1 (0.38) PPARGSERPINE1MCL1MAPK8CYP2C8
SCHEMBL862488 0.90 SERPINE1 (0.38) PPARGSERPINE1MCL1MAPK8CYP2C8
SCHEMBL830979 0.89 PPARG (0.41) PPARGMCL1MAPK8CYP2C8KMT2A
SCHEMBL862192 0.87 PPARG (0.39) PPARGSERPINE1MCL1MAPK8CYP2C8
SCHEMBL862043 0.86 PPARG (0.35) PPARGSERPINE1MCL1MAPK8CYP2C8
SCHEMBL862496 0.86 PPARG (0.38) PPARGSERPINE1BRD4PTGER4CYP2C8
SCHEMBL862329 0.86 PPARG (0.40) PPARGSERPINE1MCL1CYP2C8KMT2A
SCHEMBL862443 0.86 TDP2 (0.36) PPARGBRD4PTGER4CYP2C8KMT2A

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.