SCHEMBL12557079

SCHEMBL12557079

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CXCL8 P10145 7/20 0.48
▸ APLNR P35414 1/20 0.48
▸ CTSL P07711 3/20 0.47
▸ CTSS P25774 3/20 0.47
▸ CTSK P43235 3/20 0.47
▸ CTSH P09668 1/20 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
▸ CXCR4 P61073 3/20 0.46
▸ KISS1R Q969F8 2/20 0.45
▸ C5AR1 P21730 1/20 0.45
▸ NPY1R P25929 1/20 0.45
▸ NPY2R P49146 1/20 0.45
▸ NPY4R P50391 1/20 0.45
▸ NPY5R Q15761 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
SCHEMBL12589895 0.84 CTSL (0.58) CXCL8CTSLCTSSCTSKCTSH
SCHEMBL12557082 0.84 CXCR4 (0.52) CXCL8CXCR4
SCHEMBL13038613 0.83 CXCR4 (0.50) CXCL8MC4RMC5RMC3RMC1R
SCHEMBL13881394 0.80 CXCL8 (0.60) CXCL8CTSLCTSSCTSKCTSH
SCHEMBL13038595 0.80 CXCL8 (0.60) CXCL8CTSLCTSSCTSKCTSH
SCHEMBL17327767 0.76 CXCR4 (0.61) CXCL8CTSLCTSSCTSKCTSH
SCHEMBL32679440 0.75 CXCR4 (0.65) CXCL8CTSLCTSSCTSKCTSH
SCHEMBL30539219 0.75 MC4R (0.61) CXCL8CTSLCTSSCTSKCTSH
SCHEMBL29835266 0.75 MC4R (0.61) CXCL8CTSLCTSSCTSKCTSH
SCHEMBL31364213 0.75 CXCR4 (0.58) CXCL8CTSLCTSSCTSKCTSH

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 CXCL8 58/4885APLNR 329/4885CTSL 4151/4885
US-20130309277-A1 POLYMER MICELLES CONTAINING ANTHRACYCLINES FOR THE TREATMENT OF CANCER TOP2B, TOP2A, ABCB4 CXCL8 3294/4885APLNR 711/4885CTSL 2795/4885
US-20110142950-A1 POLYMER MICELLES CONTAINING ANTHRACYLINES FOR THE TREATMENT OF CANCER ABCB4, TOP2A, ANXA5 CXCL8 3238/4885APLNR 89/4885CTSL 2398/4885

“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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