SCHEMBL22278847

SCHEMBL22278847

N=C(N)NCCC[C@@H]1NC(=O)[C@H](CS)NC(=O)[C@H](CCCCNC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCNC(=O)CO)NC(=O)CSCC(C(=O)NCCOCCOCCOCCNC(=O)COCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 6/20 0.52
▸ ITGAV P06756 6/20 0.52
▸ ITGB1 P05556 2/20 0.51
▸ ITGA5 P08648 2/20 0.51
▸ ITGB5 P18084 3/20 0.49
▸ MC4R P32245 6/20 0.48
▸ MC5R P33032 6/20 0.48
▸ MC3R P41968 6/20 0.48
▸ MC1R Q01726 6/20 0.48
▸ CTSG P08311 2/20 0.47
▸ SLC40A1 Q9NP59 3/20 0.46
▸ KEAP1 Q14145 1/20 0.46
▸ NFE2L2 Q16236 1/20 0.46
▸ PLAU P00749 1/20 0.46
▸ KLKB1 P03952 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
SCHEMBL19725710 0.96 ITGB3 (0.56) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL19725628 0.96 ITGB3 (0.56) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL10052602 0.93 ITGB3 (0.55) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL9909400 0.93 ITGB3 (0.55) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL16298655 0.93 ITGB3 (0.55) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL22003475 0.93 ITGB3 (0.55) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL13656565 0.92 CTSG (0.51) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL12837665 0.92 CTSG (0.51) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL22278851 0.92 ITGB3 (0.50) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL12361592 0.91 MC4R (0.51) ITGB3ITGAVITGB1ITGA5ITGB5

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-20200237921-A1 METHOD FOR REMOVING ACETALDEHYDE GE HEALTHCARE LIMITED (GB) 2020-07-30 — — 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-20200237921-A1 METHOD FOR REMOVING ACETALDEHYDE ALDH2, ALDH1A1, ADH1A ITGB3 2789/4885ITGAV 1424/4885ITGB1 2166/4885

“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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