SCHEMBL14479383

SCHEMBL14479383

CC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](C)Cc1c[nH]cn1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.46
▸ IL23R Q5VWK5 2/20 0.46
▸ APLNR P35414 2/20 0.45
▸ GLP1R P43220 1/20 0.43
▸ SCTR P47872 1/20 0.43
▸ C5AR1 P21730 1/20 0.42
▸ MC4R P32245 1/20 0.42
▸ CTSL P07711 3/20 0.42
▸ CTSS P25774 3/20 0.42
▸ CTSK P43235 3/20 0.42
▸ CTSH P09668 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ OPRL1 P41146 1/20 0.41

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
SCHEMBL29614462 0.87 TFPI (0.46) TFPIIL23RAPLNRC5AR1MC4R
SCHEMBL29614491 0.87 CTSL (0.46) TFPIIL23RAPLNRGLP1RSCTR
SCHEMBL29614488 0.87 CTSL (0.46) TFPIIL23RAPLNRGLP1RSCTR
SCHEMBL31437150 0.85 CTSL (0.47) IL23RCTSLCTSSCTSKCTSH
SCHEMBL29614438 0.84 MC4R (0.46) APLNRGLP1RSCTRC5AR1MC4R
SCHEMBL31437155 0.83 SLC15A2 (0.44) APLNRC5AR1MC4RCTSLCTSS
SCHEMBL21397756 0.82 APLNR (0.47) IL23RAPLNRMC4RCTSLCTSS
SCHEMBL31032683 0.82 GLP1R (0.51) TFPIGLP1RSCTRC5AR1OPRL1
SCHEMBL31032668 0.82 GLP1R (0.51) TFPIGLP1RSCTRC5AR1OPRL1
SCHEMBL30655854 0.82 GLP1R (0.53) TFPIAPLNRGLP1RSCTRMC4R

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-9155795-B2 CXCR4 receptor compounds ANCHOR THERAPEUTICS, INC. (US) 2015-10-13 — — US disclosed
US-20130005944-A1 CXCR4 Receptor Compounds ACER THERAPEUTICS INC. 2013-01-03 — — 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-20130005944-A1 CXCR4 Receptor Compounds CXCL12, CXCR4, CCR5 TFPI 1747/4885IL23R 647/4885APLNR 743/4885

“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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