SCHEMBL12589895

SCHEMBL12589895

C#CCCC(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.58
▸ CTSS P25774 3/20 0.58
▸ CTSK P43235 3/20 0.58
▸ CTSH P09668 1/20 0.58
▸ CXCR4 P61073 5/20 0.58
▸ CXCL8 P10145 7/20 0.57
▸ NPY1R P25929 1/20 0.55
▸ NPY2R P49146 1/20 0.55
▸ NPY4R P50391 1/20 0.55
▸ NPY5R Q15761 1/20 0.55
▸ CALCA P06881 1/20 0.55
▸ GLP1R P43220 2/20 0.54
▸ GCGR P47871 2/20 0.54

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
SCHEMBL13038595 0.92 CXCL8 (0.60) CTSLCTSSCTSKCTSHCXCR4
SCHEMBL13881394 0.91 CXCL8 (0.60) CTSLCTSSCTSKCTSHCXCR4
SCHEMBL13075186 0.86 CTSL (0.55) CTSLCTSSCTSKCTSHCXCR4
SCHEMBL29697149 0.84 CXCR4 (0.65) CTSLCTSSCTSKCTSHCXCR4
SCHEMBL12557079 0.84 CXCL8 (0.48) CTSLCTSSCTSKCTSHCXCR4
SCHEMBL30883231 0.84 CXCR4 (0.68) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL19448547 0.83 CXCL8 (0.59) CTSLCTSSCTSKCTSHCXCL8
SCHEMBL29742984 0.83 CXCR4 (0.63) CTSLCTSSCTSKCTSHCXCR4
SCHEMBL30697764 0.83 CTSL (0.60) CTSLCTSSCTSKCTSHCXCR4
SCHEMBL17327767 0.83 CXCR4 (0.61) CTSLCTSSCTSKCTSHCXCR4

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 4 patents. 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
US-8524784-B2 Polymer micelles containing anthracylines for the treatment of cancer INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2013-09-03 — — US disclosed
US-20110142950-A1 POLYMER MICELLES CONTAINING ANTHRACYLINES FOR THE TREATMENT OF CANCER INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2011-06-16 — — US disclosed
US-20100278932-A1 POLYMER MICELLES CONTAINING SN-38 FOR THE TREATMENT OF CANCER INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2010-11-04 — — 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 (3 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-20100278932-A1 POLYMER MICELLES CONTAINING SN-38 FOR THE TREATMENT OF CANCER MUC1, MSN, SNX9 CTSL 4151/4885CTSS 4704/4885CTSK 4657/4885
US-20130309277-A1 POLYMER MICELLES CONTAINING ANTHRACYCLINES FOR THE TREATMENT OF CANCER TOP2B, TOP2A, ABCB4 CTSL 2795/4885CTSS 3779/4885CTSK 3627/4885
US-20110142950-A1 POLYMER MICELLES CONTAINING ANTHRACYLINES FOR THE TREATMENT OF CANCER ABCB4, TOP2A, ANXA5 CTSL 2398/4885CTSS 2884/4885CTSK 3498/4885

“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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