SCHEMBL862444

SCHEMBL862444

O=C(NS(=O)(=O)c1cccs1)c1c(-c2ccc[nH]c2=O)c2cc(Cl)ccc2n1Cc1cc(F)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.40
BCL2 P10415 1/20 0.37
BCL2L1 Q07817 1/20 0.37
PTGER3 P43115 8/20 0.36
KMT2A Q03164 2/20 0.34
PTGER1 P34995 2/20 0.33
PTGER4 P35408 2/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
CCR2 P41597 2/20 0.33
PTGER2 P43116 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 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
SCHEMBL862166 0.89 CYP2C8 (0.42) CYP2C8KMT2APTGDR2
SCHEMBL862560 0.89 FLT1 (0.42) CYP2C8KMT2APTGDR2
SCHEMBL862717 0.88 CYP2C8 (0.42) CYP2C8KMT2ACCR2PTGDR2
SCHEMBL862164 0.88 CYP2C8 (0.42) CYP2C8PTGER3KMT2APTGDR2
SCHEMBL832498 0.88 CYP2C8 (0.45) CYP2C8KMT2APTGDR2
SCHEMBL862472 0.87 CYP2C8 (0.43) CYP2C8KMT2APTGDR2
SCHEMBL862158 0.87 CYP2C8 (0.41) CYP2C8KMT2ACCR2PTGDR2
SCHEMBL832619 0.87 CYP2C8 (0.41) CYP2C8PTGER3KMT2APTGER1PTGER4
SCHEMBL831268 0.87 CYP2C8 (0.45) CYP2C8KMT2APTGDR2SCN9A
SCHEMBL861967 0.86 CYP2C8 (0.44) CYP2C8KMT2APTGDR2

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 CYP2C8 847/4885BCL2 1570/4885BCL2L1 1673/4885

“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.