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SCHEMBL13130786

SCHEMBL13130786

CSCC[C@H](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)N[C@@H](CO)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 2/20 0.59
▸ CALCRL Q16602 2/20 0.58
▸ OPRM1 P35372 5/20 0.56
▸ OPRD1 P41143 4/20 0.56
▸ SLC6A2 P23975 1/20 0.56
▸ CXCL8 P10145 2/20 0.52

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
SCHEMBL29431828 0.92 OPRM1 (0.61) EPHA2OPRM1OPRD1SLC6A2
SCHEMBL13130809 0.89 EPHA2 (0.60) EPHA2CALCRLOPRM1OPRD1CXCL8
SCHEMBL6886178 0.86 SLC6A2 (0.72) CALCRLOPRM1OPRD1SLC6A2
SCHEMBL6886172 0.86 SLC6A2 (0.72) CALCRLOPRM1OPRD1SLC6A2
SCHEMBL14524246 0.86 CALCRL (0.61) EPHA2CALCRLSLC6A2
SCHEMBL38665591 0.86 SLC6A2 (0.59) CALCRLSLC6A2CXCL8
Reltecimod SCHEMBL29430066 0.86 CXCL8 (0.53) EPHA2CALCRLCXCL8
SCHEMBL31548693 0.86 CALCRL (0.59) CALCRLSLC6A2CXCL8
SCHEMBL30020377 0.86 SLC6A2 (0.68) EPHA2CALCRLOPRM1SLC6A2
SCHEMBL29482771 0.85 SLC6A2 (0.57) CALCRLOPRM1OPRD1SLC6A2

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-20100240594-A1 TARGETED DELIVERY OF CHEMOTHERAPEUTIC AGENTS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-09-23 — — US disclosed
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 29/4885CALCRL 4797/4885OPRM1 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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