SCHEMBL18057198

SCHEMBL18057198

CC(=O)N[C@@H](CCC(N)=O)C(=O)C(=O)[C@H](CO)NN[C@]1(C)CCCCCCCC[C@@]2(CCCCCCCCCC[C@@](C)(C(C)=O)NN[C@@H](CC(C)C)C(=O)C(=O)[C@H](CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)C(CC(C)C)NC(=O)[C@H](CC(N)=O)NC2=O)NN[C@@H](Cc2ccccc2)C(=O)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(N)=O)NC1=O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 12/20 0.56
▸ MDM4 O15151 10/20 0.56
▸ PLAU P00749 1/20 0.45
▸ PCSK9 Q8NBP7 2/20 0.43
▸ SSTR1 P30872 1/20 0.42
▸ SSTR2 P30874 1/20 0.42
▸ SSTR4 P31391 1/20 0.42
▸ SSTR3 P32745 1/20 0.42
▸ SSTR5 P35346 1/20 0.42
▸ TSLP Q969D9 1/20 0.42
▸ KDM4A O75164 1/20 0.42
▸ RXFP4 Q8TDU9 1/20 0.42
▸ F12 P00748 1/20 0.42

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
SCHEMBL18057199 0.98 MDM2 (0.59) MDM2MDM4PLAUPCSK9RXFP4
SCHEMBL16167588 0.94 MDM2 (0.64) MDM2MDM4PCSK9RXFP4
SCHEMBL16167598 0.92 MDM2 (0.68) MDM2MDM4PCSK9RXFP4
SCHEMBL16351425 0.89 MDM4 (0.49) MDM2MDM4PLAUPCSK9SSTR1
SCHEMBL16351424 0.87 MDM2 (0.53) MDM2MDM4PLAUPCSK9SSTR1
SCHEMBL19406735 0.80 MDM2 (0.62) MDM2MDM4PCSK9
SCHEMBL15183815 0.78 MDM4 (0.47) MDM2MDM4PLAUPCSK9TSLP
SCHEMBL19406734 0.76 MDM2 (0.67) MDM2MDM4PCSK9
SCHEMBL15183812 0.76 MDM2 (0.51) MDM2MDM4PLAUTSLPKDM4A
SCHEMBL15183813 0.76 MDM2 (0.66) MDM2MDM4PCSK9F12

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-20160257716-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2016-09-08 — — 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-20160257716-A1 PEPTIDOMIMETIC MACROCYCLES GLP1R, PROKR1, VIP MDM2 2533/4885MDM4 3015/4885PLAU 673/4885

“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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