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SCHEMBL13130809

SCHEMBL13130809

C#CCCC(=O)NCCCC[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 3/20 0.60
▸ CXCL8 P10145 6/20 0.52
▸ OPRM1 P35372 4/20 0.51
▸ OPRD1 P41143 4/20 0.51
▸ APLNR P35414 1/20 0.50
▸ F2 P00734 1/20 0.50
▸ RAMP3 O60896 1/20 0.49
▸ CALCR P30988 1/20 0.49
▸ CALCRL Q16602 1/20 0.49

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
SCHEMBL13130786 0.89 EPHA2 (0.59) EPHA2CXCL8OPRM1OPRD1CALCRL
SCHEMBL29431828 0.84 OPRM1 (0.61) EPHA2OPRM1OPRD1
SCHEMBL31548693 0.78 CALCRL (0.59) CXCL8CALCRL
SCHEMBL29482771 0.78 SLC6A2 (0.57) OPRM1OPRD1F2CALCRL
SCHEMBL30978826 0.78 NPY2R (0.57) EPHA2F2CALCR
SCHEMBL6886172 0.78 SLC6A2 (0.72) OPRM1OPRD1CALCRL
SCHEMBL6886178 0.78 SLC6A2 (0.72) OPRM1OPRD1CALCRL
SCHEMBL29946327 0.78 OPRM1 (0.62) EPHA2OPRM1OPRD1CALCRL
SCHEMBL14524246 0.77 CALCRL (0.61) EPHA2CALCRL
SCHEMBL30536701 0.77 OPRM1 (0.58) EPHA2CXCL8OPRM1OPRD1APLNR

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-20100240594-A1 TARGETED DELIVERY OF CHEMOTHERAPEUTIC AGENTS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-09-23 — — 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-20100240594-A1 TARGETED DELIVERY OF CHEMOTHERAPEUTIC AGENTS TP53, TOP2A, MCL1 EPHA2 29/4885CXCL8 1595/4885OPRM1 4136/4885

“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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