Sugi Predict

Sugi Predict / Compounds / SCHEMBL20380786

SCHEMBL20380786

SCHEMBL20380786

CC(=O)CN[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C[C@]1(C)CCCCCC/C=C\CCC[C@@](C)(C(=O)NC(C)C(=O)N[C@@H](CCC(N)=O)C(N)=O)CC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC1=O)[C@@H](C)O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSP90AB1 P08238 1/20 0.48
▸ EED O75530 1/20 0.47
▸ MDM2 Q00987 3/20 0.44
▸ MDM4 O15151 2/20 0.44
▸ PRMT5 O14744 1/20 0.42
▸ WDR77 Q9BQA1 1/20 0.42
▸ BECN1 Q14457 1/20 0.41
▸ NPY2R P49146 3/20 0.41
▸ EIF4E P06730 1/20 0.41
▸ EIF4EBP1 Q13541 1/20 0.41
▸ TFPI P10646 3/20 0.41
▸ GCGR P47871 2/20 0.41
▸ STAT3 P40763 1/20 0.41
▸ GALR2 O43603 1/20 0.41
▸ GALR1 P47211 1/20 0.41

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
SCHEMBL20380787 0.90 EED (0.52) HSP90AB1EEDMDM2MDM4EIF4E
SCHEMBL17568826 0.70 MDM2 (0.58) MDM2MDM4EIF4EEIF4EBP1
SCHEMBL18053128 0.70 MDM2 (0.58) MDM2MDM4EIF4EEIF4EBP1
SCHEMBL18053760 0.70 MDM2 (0.53) MDM2MDM4EIF4EEIF4EBP1
SCHEMBL31497351 0.62 KEAP1 (0.60) TFPI
Pvldefreklneelealkqklk SCHEMBL29500556 0.62 TFPI (0.63) TFPI
SCHEMBL30922369 0.62 CALCRL (0.59) NPY2R
SCHEMBL31497329 0.62 CALCRL (0.62) TFPI
SCHEMBL30607467 0.62 CALCR (0.64) NPY2R
SCHEMBL31575697 0.62 CALCRL (0.63) —

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 HSP90AB1 2199/4885EED 3503/4885MDM2 2184/4885
US-10022422-B2 Peptidomimetic macrocycles HAVCR2, ZC3HAV1, ZC3HAV1L HSP90AB1 1846/4885EED 3802/4885MDM2 2442/4885

“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.