SCHEMBL2157396

SCHEMBL2157396

COC(=O)c1cc2c(s1)c(C1CCCCC1)c(-c1ccccc1NC(=O)OC(C)(C)C)n2CC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1I3 Q14994 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OGFRL1 Q5TC84 1/20 0.33
CHRM3 P20309 7/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
IDO1 P14902 2/20 0.33
BRD4 O60885 1/20 0.33
CCKBR P32239 2/20 0.32
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CXCR4 P61073 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
SCHEMBL4790068 0.91 CYP1A2 (0.40) CHRM3KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL2998707 0.86 KDM4E (0.36) KDM4EALDH1A1CXCR4
SCHEMBL923678 0.84 PRKCA (0.36) OPRM1OPRD1OGFRL1KDM4EALDH1A1
SCHEMBL2157399 0.83 BRD9 (0.38) CHRM3KDM4EALDH1A1BRD4HPGD
SCHEMBL2988625 0.81 PTGDR (0.35) BRD4CCKBRL3MBTL1
SCHEMBL2157328 0.80 KDM4E (0.31) KDM4E
SCHEMBL2156279 0.79 CYP2D6 (0.34) KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL2156912 0.79 NR1H4 (0.31) KDM4EALDH1A1HPGDL3MBTL1CXCR4
SCHEMBL2994392 0.76 KDM4E (0.40) KDM4EALDH1A1HPGD
SCHEMBL3563946 0.75 PRKCA (0.35) OPRM1OPRD1OGFRL1KDM4EALDH1A1

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-7973026-B2 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-07-05 US disclosed
US-20090105227-A1 Thienopyrroles As Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-04-23 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-20090105227-A1 Thienopyrroles As Antiviral Agents ZC3HAV1, HAVCR2, ZC3HAV1L NR1I3 339/4885OPRM1 716/4885OPRD1 52/4885

“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.