Sugi Predict

Sugi Predict / Compounds / SCHEMBL18053128

SCHEMBL18053128

SCHEMBL18053128

CC(=O)CN[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)CN[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@]1(C)CCC/C=C\CCC[C@@](C)(C(=O)N[C@@H](CCC(N)=O)C(N)=O)NC(=O)C(C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC1=O)[C@@H](C)O)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 3/20 0.58
▸ MDM4 O15151 2/20 0.58
▸ KRAS P01116 6/20 0.54
▸ ESR1 P03372 1/20 0.53
▸ ESR2 Q92731 1/20 0.53
▸ EIF4E P06730 2/20 0.53
▸ EIF4EBP1 Q13541 2/20 0.53
▸ PRKAR2A P13861 6/20 0.52
▸ PRKAR2B P31323 5/20 0.52

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
SCHEMBL17568826 1.00 MDM2 (0.58) MDM2MDM4KRASESR1ESR2
SCHEMBL18053760 0.93 MDM2 (0.53) MDM2MDM4KRASESR1ESR2
SCHEMBL20380787 0.80 EED (0.52) MDM2MDM4KRASEIF4EEIF4EBP1
SCHEMBL29637723 0.71 PRKAR2A (0.94) MDM2MDM4ESR1ESR2EIF4E
SCHEMBL20380786 0.70 HSP90AB1 (0.48) MDM2MDM4EIF4EEIF4EBP1
SCHEMBL29572972 0.69 KRAS (1.00) KRASEIF4EEIF4EBP1
SCHEMBL29972035 0.67 MDM2 (0.72) MDM2MDM4ESR1ESR2
Sulanemadlin SCHEMBL29372019 0.67 MDM2 (1.00) MDM2MDM4
SCHEMBL24473539 0.66 NTSR2 (0.61) ESR1ESR2EIF4EEIF4EBP1PRKAR2A
SCHEMBL17568833 0.66 ESR1 (0.62) KRASESR1ESR2EIF4EEIF4EBP1

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-10022422-B2 Peptidomimetic macrocycles Alleron Therapeutics, Inc. (US) 2018-07-17 — — US disclosed
US-20160250278-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2016-09-01 — — 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 (2 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-20160250278-A1 PEPTIDOMIMETIC MACROCYCLES ZC3HAV1, HAVCR2, ZC3HAV1L MDM2 2184/4885MDM4 1599/4885KRAS 1413/4885
US-10022422-B2 Peptidomimetic macrocycles HAVCR2, ZC3HAV1, ZC3HAV1L MDM2 2442/4885MDM4 1962/4885KRAS 1271/4885

“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.