SCHEMBL19725655

SCHEMBL19725655

N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCS)NC(=O)[C@H](CCCCNC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCNC(=O)CON)NC(=O)CSC[C@@H](C(=O)NCCOCCOCCOCCNC(=O)COCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.55
ITGAV P06756 5/20 0.55
MC4R P32245 6/20 0.50
MC5R P33032 6/20 0.50
MC3R P41968 6/20 0.50
MC1R Q01726 6/20 0.50
ITGB1 P05556 1/20 0.50
ITGA5 P08648 1/20 0.50
ITGB5 P18084 2/20 0.47
CTSG P08311 2/20 0.47
SLC40A1 Q9NP59 1/20 0.46
PLAU P00749 2/20 0.46
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
ITGA2B P08514 2/20 0.43
TSLP Q969D9 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
SCHEMBL15188715 0.99 ITGB3 (0.56) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL19725628 0.95 ITGB3 (0.56) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL19725710 0.95 ITGB3 (0.56) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL9909400 0.94 ITGB3 (0.55) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL22003475 0.94 ITGB3 (0.55) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL10052602 0.94 ITGB3 (0.55) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL16298655 0.94 ITGB3 (0.55) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL18505848 0.94 ITGB3 (0.57) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL11933454 0.93 ITGB3 (0.51) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL11928877 0.93 ITGB3 (0.64) ITGB3ITGAVMC4RMC5RMC3R

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 3 patents. 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
US-10660966-B2 Method for removing acetaldehyde GE HEALTHCARE LIMITED (GB) 2020-05-26 US disclosed
US-20170360943-A1 METHOD FOR REMOVING ACETALDEHYDE GE HEALTHCARE LIMITED (GB) 2017-12-21 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-20170360943-A1 METHOD FOR REMOVING ACETALDEHYDE ALDH2, ALDH1A1, ADH1A ITGB3 2789/4885ITGAV 1424/4885MC4R 3484/4885
US-20200237921-A1 METHOD FOR REMOVING ACETALDEHYDE ALDH2, ALDH1A1, ADH1A ITGB3 2789/4885ITGAV 1424/4885MC4R 3484/4885
US-10660966-B2 Method for removing acetaldehyde ALDH2, ALDH1A1, ADH1A ITGB3 2789/4885ITGAV 1424/4885MC4R 3484/4885

“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.