SCHEMBL14524247

SCHEMBL14524247

CNC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NCCCC[C@@H](NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(=O)O)NC(=O)C1CCCN1C(=O)C(NC(=O)C(CC(=O)O)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(N)Cc1ccc(O)cc1)C(C)C)C(=O)NCCCC[C@@H](C(N)=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 2/20 0.48
▸ AKT1 P31749 1/20 0.47
▸ PIN1 Q13526 1/20 0.47
▸ RAMP3 O60896 1/20 0.47
▸ CALCR P30988 1/20 0.47
▸ OPRD1 P41143 3/20 0.45
▸ CXCR4 P61073 4/20 0.45
▸ KDM1A O60341 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ KDM5A P29375 1/20 0.45
▸ KDM1B Q8NB78 1/20 0.45
▸ C5AR1 P21730 1/20 0.45
▸ OPRM1 P35372 1/20 0.45
▸ TFPI P10646 4/20 0.45

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
SCHEMBL13311924 0.80 PIN1 (0.49) PIN1RAMP3CALCROPRD1KDM1A
SCHEMBL14524261 0.79 PIN1 (0.47) PIN1RAMP3CALCROPRD1KDM1A
SCHEMBL3805702 0.78 RAMP3 (0.55) PIN1RAMP3CALCRCXCR4TFPI
SCHEMBL29980543 0.77 EPHA2 (0.57) EPHA2OPRD1KDM1AMAOBKDM5A
SCHEMBL29980542 0.77 EPHA2 (0.59) EPHA2OPRD1KDM1AMAOBKDM5A
Angiotensin Amide SCHEMBL4448793 0.75 AGTR2 (0.63) RAMP3CALCRTFPI
SCHEMBL13311821 0.75 EPHA2 (0.62) EPHA2OPRD1KDM1AMAOBKDM5A
SCHEMBL29980254 0.75 KDM1A (0.63) EPHA2RAMP3CALCRCXCR4KDM1A
SCHEMBL7113668 0.74 FOLH1 (0.50) PIN1RAMP3CALCR
SCHEMBL15788093 0.74 LCK (0.48) AKT1

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-20070078094-A1 Guanidinium delivery carriers NITTO DENKO CORPORATION (JP) 2007-04-05 — — US disclosed
US-20070078094-A1 Guanidinium delivery carriers NITTO DENKO CORPORATION (JP) 2007-04-05 — — 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-20070078094-A1 Guanidinium delivery carriers SLC2A9, SLC29A2, SLC2A4 EPHA2 611/4885AKT1 3739/4885PIN1 3874/4885

“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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