SCHEMBL15928124

SCHEMBL15928124

CCCCCCCCCCCCCCCC(=O)OCC(CSCC(N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)NC(CO)C(=O)N[C@H](C=O)Cc1ccccc1)OC(=O)CCCCCCCCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 11/20 0.50
▸ TFPI P10646 4/20 0.47
▸ MC4R P32245 1/20 0.46
▸ MC5R P33032 1/20 0.46
▸ MC3R P41968 1/20 0.46
▸ MC1R Q01726 1/20 0.46
▸ APLNR P35414 1/20 0.45
▸ TLR2 O60603 1/20 0.45
▸ REN P00797 1/20 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
SCHEMBL29351263 0.95 CXCR4 (0.52) CXCR4TFPIMC4RMC5RMC3R
SCHEMBL15935518 0.92 CXCR4 (0.53) CXCR4TFPIREN
SCHEMBL5580530 0.86 APLNR (0.52) APLNRTLR2
SCHEMBL10277277 0.77 APLNR (0.52) APLNR
SCHEMBL15242402 0.75 TLR2 (0.53) TLR2
Ghrelin SCHEMBL29350821 0.74 TFPI (0.64) CXCR4TFPI
SCHEMBL29635486 0.72 CXCR4 (0.73) CXCR4MC4RMC5RMC3RMC1R
SCHEMBL29352758 0.72 TLR2 (0.58) TLR2
SCHEMBL27016689 0.71 OPRD1 (0.52) CXCR4MC4RMC5RMC3RMC1R
SCHEMBL29473717 0.70 CALCR (0.57) APLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170246287-A1 VACCINE COMPOSITION FOR TRANSDERMAL ADMINISTRATION NITTO DENKO CORPORATION (JP) 2017-08-31 — — US disclosed
US-20170224813-A1 VACCINE PHARMACEUTICAL COMPOSITION FOR SUPPRESSING APOPTOSIS OF CTL OR INHIBITING SUPPRESSION OF INDUCTION OF CTL NITTO DENKO CORPORATION (JP) 2017-08-10 — — US disclosed
US-20140234377-A1 VACCINE COMPOSITION FOR MUCOSAL ADMINISTRATION NITTO DENKO CORPORATION (JP) 2014-08-21 — — US disclosed
US-20140220079-A1 VACCINE COMPOSITION FOR MUCOSAL ADMINISTRATION NITTO DENKO CORPORATION (JP) 2014-08-07 — — US disclosed
US-20140220056-A1 VACCINE COMPOSITION FOR TRANSDERMAL ADMINISTRATION NITTO DENKO CORPORATION (JP) 2014-08-07 — — US disclosed
US-20140220057-A1 WT1 PEPTIDE CANCER VACCINE COMPOSITION FOR TRANSDERMAL ADMINISTRATION INTERNATIONAL INSTITUTE OF CANCER IMMUNOLOGY, INC. (JP) 2014-08-07 — — US disclosed
US-20140220059-A1 WT1 PEPTIDE CANCER VACCINE COMPOSITION FOR MUCOSAL ADMINISTRATION INTERNATIONAL INSTITUTE OF CANCER IMMUNOLOGY, INC. (JP) 2014-08-07 — — US disclosed
US-20140220055-A1 WT1 PEPTIDE CANCER VACCINE COMPOSITION FOR TRANSDERMAL ADMINISTRATION INTERNATIONAL INSTITUTE OF CANCER IMMUNOLOGY, INC. (JP) 2014-08-07 — — US disclosed
US-20140220063-A1 VACCINE COMPOSITION NITTO DENKO CORPORATION (JP) 2014-08-07 — — US disclosed
US-20140220100-A1 VACCINE COMPOSITION FOR TRANSDERMAL ADMINISTRATION NITTO DENKO CORPORATION (JP) 2014-08-07 — — US disclosed
US-20140220058-A1 VACCINE COMPOSITION FOR TRANSDERMAL OR MUCOSAL ADMINISTRATION NITTO DENKO CORPORATION (JP) 2014-08-07 — — 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 (11 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-20140220056-A1 VACCINE COMPOSITION FOR TRANSDERMAL ADMINISTRATION CD4, IFNG, CD69 CXCR4 174/4885TFPI 4137/4885MC4R 879/4885
US-20140220057-A1 WT1 PEPTIDE CANCER VACCINE COMPOSITION FOR TRANSDERMAL ADMINISTRATION TAP1, TAP2, MUC1 CXCR4 335/4885TFPI 3939/4885MC4R 576/4885
US-20140220100-A1 VACCINE COMPOSITION FOR TRANSDERMAL ADMINISTRATION ERBB2, EGFR, ERBB3 CXCR4 229/4885TFPI 3403/4885MC4R 1070/4885
US-20170246287-A1 VACCINE COMPOSITION FOR TRANSDERMAL ADMINISTRATION CD4, IFNG, CD69 CXCR4 174/4885TFPI 4137/4885MC4R 879/4885
US-20140220058-A1 VACCINE COMPOSITION FOR TRANSDERMAL OR MUCOSAL ADMINISTRATION CD69, TSLP, MUC1 CXCR4 788/4885TFPI 2087/4885MC4R 566/4885
US-20140234377-A1 VACCINE COMPOSITION FOR MUCOSAL ADMINISTRATION TLR9, TLR3, TLR6 CXCR4 385/4885TFPI 2905/4885MC4R 670/4885
US-20140220055-A1 WT1 PEPTIDE CANCER VACCINE COMPOSITION FOR TRANSDERMAL ADMINISTRATION TAP1, TAP2, MICA CXCR4 177/4885TFPI 3749/4885MC4R 1202/4885
US-20170224813-A1 VACCINE PHARMACEUTICAL COMPOSITION FOR SUPPRESSING APOPTOSIS OF CTL OR INHIBITING SUPPRESSION OF INDUCTION OF CTL BAX, GZMB, BCL2 CXCR4 1362/4885TFPI 2149/4885MC4R 3938/4885
US-20140220079-A1 VACCINE COMPOSITION FOR MUCOSAL ADMINISTRATION MUC1, ERBB2, TLR5 CXCR4 895/4885TFPI 4148/4885MC4R 453/4885
US-20140220059-A1 WT1 PEPTIDE CANCER VACCINE COMPOSITION FOR MUCOSAL ADMINISTRATION MUC1, TAP1, MICA CXCR4 577/4885TFPI 3967/4885MC4R 1202/4885
US-20140220063-A1 VACCINE COMPOSITION MYD88, IRF3, CD14 CXCR4 1887/4885TFPI 4165/4885MC4R 3721/4885

“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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