SCHEMBL16348162

SCHEMBL16348162

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

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.60
▸ IL23R Q5VWK5 3/20 0.54
▸ CHRND Q07001 5/20 0.53
▸ CHRNA1 P02708 1/20 0.53
▸ CHRNG P07510 1/20 0.53
▸ CHRNB1 P11230 1/20 0.53
▸ NPY1R P25929 2/20 0.53
▸ NPY2R P49146 2/20 0.53
▸ NPY4R P50391 2/20 0.53
▸ NPY5R Q15761 2/20 0.53
▸ GRIA1 P42261 4/20 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
SCHEMBL13076893 0.92 TFPI (0.57) TFPIIL23RNPY1RNPY2RNPY4R
SCHEMBL12589782 0.92 TFPI (0.64) TFPIIL23RNPY1RNPY2RNPY4R
SCHEMBL13076813 0.92 TFPI (0.64) TFPIIL23RNPY1RNPY2RNPY4R
SCHEMBL12589785 0.92 TFPI (0.64) TFPIIL23RNPY1RNPY2RNPY4R
SCHEMBL9523164 0.87 TFPI (0.54) TFPIIL23RNPY1RNPY2RNPY4R
SCHEMBL30569208 0.85 TFPI (0.59) TFPIIL23RNPY1RNPY2RNPY4R
SCHEMBL30168765 0.85 TFPI (0.63) TFPIIL23RNPY1RNPY2RNPY4R
SCHEMBL29757878 0.85 NPY4R (0.58) TFPIIL23RNPY1RNPY2RNPY4R
SCHEMBL5049208 0.85 NPY4R (0.59) TFPINPY1RNPY2RNPY4RNPY5R
SCHEMBL30567797 0.85 TFPI (0.62) TFPIIL23RNPY1RNPY2RNPY4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130309277-A1 POLYMER MICELLES CONTAINING ANTHRACYCLINES FOR THE TREATMENT OF CANCER INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2013-11-21 — — 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-20130309277-A1 POLYMER MICELLES CONTAINING ANTHRACYCLINES FOR THE TREATMENT OF CANCER TOP2B, TOP2A, ABCB4 TFPI 4748/4885IL23R 3133/4885CHRND 4846/4885

“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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