SCHEMBL14479435

SCHEMBL14479435

CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)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](CC(C)C)C(N)=O)[C@@H](C)O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.58
▸ KISS1R Q969F8 5/20 0.54
▸ NPY2R P49146 4/20 0.53
▸ GHSR Q92847 2/20 0.53
▸ GLP1R P43220 1/20 0.53
▸ SCTR P47872 1/20 0.53
▸ NR3C1 P04150 2/20 0.53
▸ IL23R Q5VWK5 5/20 0.52
▸ NPY4R P50391 3/20 0.52
▸ NPY1R P25929 2/20 0.52
▸ NPY5R Q15761 2/20 0.52
▸ KEAP1 Q14145 1/20 0.51

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
SCHEMBL14479450 0.97 TFPI (0.59) TFPIKISS1RNPY2RGHSRGLP1R
SCHEMBL16976068 0.97 TFPI (0.59) TFPIKISS1RNPY2RGHSRGLP1R
SCHEMBL14479338 0.95 GLP1R (0.53) TFPIKISS1RNPY2RGLP1RSCTR
SCHEMBL16976060 0.95 IL23R (0.58) TFPIKISS1RNPY2RGHSRGLP1R
SCHEMBL16976057 0.95 IL23R (0.58) TFPIKISS1RNPY2RGHSRGLP1R
SCHEMBL16976086 0.95 IL23R (0.58) TFPIKISS1RNPY2RGHSRGLP1R
SCHEMBL14479441 0.93 GLP1R (0.54) TFPIGLP1RSCTRNR3C1NPY4R
SCHEMBL14479397 0.91 NPY5R (0.55) TFPINPY2RGLP1RSCTRNPY4R
SCHEMBL16976087 0.91 NPY4R (0.57) KISS1RNPY2RNPY4RNPY1RNPY5R
SCHEMBL16976131 0.90 IL23R (0.57) TFPIKISS1RNPY2RGHSRGLP1R

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 1747/4885KISS1R 1771/4885NPY2R 3207/4885

“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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