SCHEMBL13062600

SCHEMBL13062600

COCCOCCNC(=O)[C@@H]1CSCCC(=O)N[C@@H](CCCCNC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCNC(=O)CONC(=O)OC(C)(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 5/20 0.49
▸ ITGAV P06756 5/20 0.49
▸ ITGB1 P05556 1/20 0.45
▸ ITGA5 P08648 1/20 0.45
▸ MC4R P32245 3/20 0.44
▸ MC5R P33032 3/20 0.44
▸ MC3R P41968 3/20 0.44
▸ MC1R Q01726 3/20 0.44
▸ TSLP Q969D9 9/20 0.44
▸ SLC40A1 Q9NP59 1/20 0.44
▸ ITGB5 P18084 2/20 0.43
▸ KEAP1 Q14145 1/20 0.43
▸ NFE2L2 Q16236 1/20 0.43
▸ CTSG P08311 1/20 0.43

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
SCHEMBL13062341 0.96 ITGB3 (0.48) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL15335356 0.96 ITGB3 (0.53) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL9909402 0.92 ITGB3 (0.56) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL12947539 0.92 ITGB3 (0.56) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL14845480 0.92 ITGB3 (0.52) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL14845482 0.92 ITGB3 (0.52) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL12647203 0.91 ITGB3 (0.47) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL13014695 0.91 ITGB3 (0.60) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL14115079 0.88 ITGB3 (0.57) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL9908267 0.87 ITGB3 (0.63) ITGB3ITGAVITGB1ITGA5MC4R

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-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 ITGB3 3073/4885ITGAV 2257/4885ITGB1 4040/4885

“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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