SCHEMBL15744682

SCHEMBL15744682

CC(=O)OCc1ccc(NC(=O)C(CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)N2CCOCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MMP3 P08254 1/20 0.40
▸ APLNR P35414 2/20 0.39
▸ F2 P00734 4/20 0.38
▸ CRHR1 P34998 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ CTSS P25774 4/20 0.37
▸ GHSR Q92847 3/20 0.37
▸ CTSB P07858 2/20 0.36
▸ CTSK P43235 2/20 0.36
▸ CTSH P09668 1/20 0.36
▸ CTSC P53634 1/20 0.36
▸ CTSL P07711 1/20 0.36
▸ GRPR P30550 1/20 0.36
▸ CALCR P30988 1/20 0.36

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
SCHEMBL15745544 0.95 CRHR1 (0.37) MMP3APLNRF2CRHR1CRHR2
SCHEMBL26403817 0.89 MMP3 (0.42) MMP3APLNRGRPR
SCHEMBL2623712 0.88 APLNR (0.40) APLNRF2CRHR1CRHR2CTSS
SCHEMBL22387819 0.83 CTSS (0.40) CTSSCTSBCTSKCTSHCTSC
SCHEMBL15744687 0.82 APLNR (0.40) APLNRF2CRHR1CRHR2CTSS
SCHEMBL19084167 0.81 APLNR (0.34) APLNRF2CRHR1CRHR2GHSR
SCHEMBL14439383 0.81 CTSS (0.43) CTSSCTSBCTSKCTSHCTSC
SCHEMBL15745484 0.81 CRHR1 (0.35) APLNRF2CRHR1CRHR2GHSR
SCHEMBL26019657 0.79 CTSS (0.40) APLNRCTSSCTSBCTSKCTSH
SCHEMBL15744674 0.79 CRHR1 (0.34) APLNRF2CRHR1CRHR2GHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190016716-A1 Emetine Derivatives, Prodrugs Containing Same, And Methods Of Treating Conditions Using Same HOWARD UNIVERSITY 2019-01-17 — — US disclosed
US-20170190700-A1 Emetine Derivatives, Prodrugs Containing Same, And Methods Of Treating Conditions Using Same BAKARE OLADAPO (US) 2017-07-06 — — US disclosed
US-20170190700-A1 Emetine Derivatives, Prodrugs Containing Same, And Methods Of Treating Conditions Using Same BAKARE OLADAPO (US) 2017-07-06 — — US disclosed
US-9492560-B2 Emetine derivatives, prodrugs containing same, and methods of treating conditions using same HOWARD UNIVERSITY 2016-11-15 — — US disclosed
US-20140148377-A1 Emetine Derivatives, Prodrugs Containing Same, And Methods Of Treating Conditions Using Same HOWARD UNIVERSITY 2014-05-29 — — 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 (3 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-20170190700-A1 Emetine Derivatives, Prodrugs Containing Same, And Methods Of Treating Conditions Using Same EML4, MCL1, ERAP2 MMP3 964/4885APLNR 1503/4885F2 2994/4885
US-20140148377-A1 Emetine Derivatives, Prodrugs Containing Same, And Methods Of Treating Conditions Using Same EML4, MCL1, ERAP2 MMP3 964/4885APLNR 1503/4885F2 2994/4885
US-20190016716-A1 Emetine Derivatives, Prodrugs Containing Same, And Methods Of Treating Conditions Using Same EML4, MCL1, ERAP2 MMP3 964/4885APLNR 1503/4885F2 2994/4885

“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.

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