SCHEMBL13030232

SCHEMBL13030232

COc1c(C(O)Cc2ccc(NS(C)(=O)=O)cc2CO)cc(-c2cccnc2OCc2ccccc2)cc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.40
RORC P51449 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
AR P10275 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
TRPV1 Q8NER1 3/20 0.34
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
FABP5 Q01469 4/20 0.32
FABP4 P15090 2/20 0.32
P2RY1 P47900 1/20 0.32
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
PRSS1 P07477 1/20 0.31
F7 P08709 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31

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
SCHEMBL13030233 0.80 CYP3A4 (0.61) CYP3A4FABP5FABP4JAK2JAK1
SCHEMBL1542226 0.76 CYP3A4 (0.41) CYP3A4RORCSMN1; SMN2NPC1AR
SCHEMBL13030225 0.75 CYP3A4 (0.39) CYP3A4RORCSMN1; SMN2NPC1AR
SCHEMBL13030243 0.74 CYP3A4 (0.44) CYP3A4RORCSMN1; SMN2NPC1AR
SCHEMBL13030230 0.74 CYP3A4 (0.40) CYP3A4RORCSMN1; SMN2NPC1AR
SCHEMBL12678826 0.71 TLR8 (0.41) RORCKDM4ELMNA
SCHEMBL1542307 0.70 ERN1 (0.37) CYP3A4RORCLMNAP2RY1
SCHEMBL2130058 0.70 CYP3A4 (0.69) CYP3A4RORCJAK2JAK1TYK2
SCHEMBL1542393 0.70 ALOX5AP (0.40) RORCNPC1RAB9ALMNAMAPT
SCHEMBL3187209 0.70 IKBKB (0.46) RORC

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100297073-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS CHIN ELBERT 2010-11-25 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-20100297073-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS POLR2A, EIF2AK2, POLR2B CYP3A4 302/4885RORC 752/4885SMN1; SMN2 3499/4885

“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.