SCHEMBL13014693

SCHEMBL13014693

COCCNC(=O)[C@@H]1CSCC(=O)N[C@@H](CCCCN)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC2=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSG P08311 2/20 0.55
▸ ITGB3 P05106 3/20 0.54
▸ ITGAV P06756 3/20 0.54
▸ ITGB1 P05556 1/20 0.54
▸ ITGA5 P08648 1/20 0.54
▸ ITGB5 P18084 1/20 0.54
▸ CACNA1B Q00975 1/20 0.54
▸ MC4R P32245 8/20 0.53
▸ MC5R P33032 8/20 0.53
▸ MC3R P41968 8/20 0.53
▸ MC1R Q01726 8/20 0.53
▸ KLKB1 P03952 1/20 0.53
▸ PLAU P00749 2/20 0.52
▸ GRB7 Q14451 1/20 0.49
▸ TSLP Q969D9 2/20 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
SCHEMBL13531891 0.97 ITGB3 (0.55) CTSGITGB3ITGAVITGB1ITGA5
SCHEMBL13649565 0.94 MC4R (0.55) CTSGITGB3ITGAVITGB1ITGA5
SCHEMBL13870335 0.94 MC4R (0.55) CTSGITGB3ITGAVITGB1ITGA5
SCHEMBL14845481 0.94 CTSG (0.51) CTSGITGB3ITGAVITGB1ITGA5
SCHEMBL14096799 0.93 CTSG (0.57) CTSGITGB3ITGAVMC4RMC5R
SCHEMBL14096782 0.93 CTSG (0.57) CTSGITGB3ITGAVMC4RMC5R
SCHEMBL13659874 0.92 MC4R (0.56) CTSGITGB3ITGAVITGB1ITGA5
SCHEMBL12353635 0.91 ITGB3 (0.57) CTSGITGB3ITGAVITGB1ITGA5
SCHEMBL12353630 0.91 CACNA1B (0.59) CTSGITGB3ITGAVITGB1ITGA5
SCHEMBL13014846 0.91 ITGB3 (0.58) CTSGITGB3ITGAVITGB1ITGA5

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-8415510-B2 Synthesis of a PEG-6 moiety from commercial low-cost chemicals GE HEALTHCARE LIMITED (GB) 2013-04-09 — — US disclosed
US-20100324264-A1 SYNTHESIS OF A PEG-6 MOIETY FROM COMMERCIAL LOW-COST CHEMICALS GE HEALTHCARE LIMITED (GB) 2010-12-23 — — 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-20100324264-A1 SYNTHESIS OF A PEG-6 MOIETY FROM COMMERCIAL LOW-COST CHEMICALS GAS6, LNPEP, BMP6 CTSG 1822/4885ITGB3 3073/4885ITGAV 2257/4885

“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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