SCHEMBL14479403

SCHEMBL14479403

CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)CC)[C@@H](C)O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.53
▸ IL23R Q5VWK5 6/20 0.53
▸ VIPR1 P32241 3/20 0.50
▸ F2 P00734 2/20 0.49
▸ GLP1R P43220 1/20 0.49
▸ GCGR P47871 1/20 0.49
▸ GIPR P48546 1/20 0.49
▸ VIPR2 P41587 3/20 0.49
▸ KISS1R Q969F8 5/20 0.49
▸ NR3C1 P04150 1/20 0.48

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
SCHEMBL14479398 0.94 VIPR2 (0.51) TFPIIL23RVIPR1F2GLP1R
SCHEMBL14479362 0.87 NPY4R (0.56) TFPIGLP1RGCGRGIPRKISS1R
SCHEMBL10169074 0.87 TFPI (0.57) TFPIIL23RVIPR1F2VIPR2
SCHEMBL14479391 0.87 TFPI (0.67) TFPIKISS1RNR3C1
SCHEMBL14479386 0.87 TFPI (0.67) TFPIKISS1RNR3C1
SCHEMBL14479348 0.86 NPY4R (0.58) TFPI
SCHEMBL16299158 0.86 TFPI (0.55) TFPIIL23RVIPR1F2VIPR2
SCHEMBL16299105 0.85 TFPI (0.59) TFPIVIPR1F2VIPR2
SCHEMBL16299171 0.85 TFPI (0.59) TFPIVIPR1F2VIPR2
SCHEMBL14479438 0.85 IL23R (0.61) TFPIIL23RGLP1RGCGRGIPR

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 647/4885VIPR1 311/4885

“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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