Sugi Predict

Sugi Predict / Compounds / SCHEMBL24173210

SCHEMBL24173210

SCHEMBL24173210

CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)C2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC1=O

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.66
▸ HDAC4 P56524 2/20 0.66
▸ HDAC1 Q13547 2/20 0.66
▸ HDAC7 Q8WUI4 2/20 0.66
▸ HDAC2 Q92769 2/20 0.66
▸ HDAC10 Q969S8 2/20 0.66
▸ HDAC11 Q96DB2 2/20 0.66
▸ HDAC8 Q9BY41 2/20 0.66
▸ HDAC6 Q9UBN7 2/20 0.66
▸ HDAC9 Q9UKV0 2/20 0.66
▸ HDAC5 Q9UQL6 2/20 0.66
▸ PDCD1 Q15116 1/20 0.61
▸ CD274 Q9NZQ7 1/20 0.61
▸ SSTR2 P30874 5/20 0.57
▸ SSTR5 P35346 5/20 0.57
▸ SSTR4 P31391 3/20 0.57
▸ SSTR3 P32745 2/20 0.56
▸ NECTIN4 Q96NY8 1/20 0.56

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
SCHEMBL24172946 0.97 HDAC3 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24173211 0.95 NECTIN4 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30480651 0.89 HDAC3 (0.75) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29885541 0.89 HDAC3 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
Tyrocidine C1 SCHEMBL29489410 0.88 PDCD1 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
Tyrocidine B1 SCHEMBL29489417 0.88 PDCD1 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
Tyrocidine B1 SCHEMBL29489416 0.88 PDCD1 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
Hymenamide J SCHEMBL31603791 0.87 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31332253 0.87 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
Loloatin B SCHEMBL1231277 0.86 PDCD1 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2

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-20220000967-A1 SYNTHETIC PEPTIDES INDUCING IMMUNOGENIC CELL DEATH SORBONNE UNIVERSITE (FR) 2022-01-06 — — 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-20220000967-A1 SYNTHETIC PEPTIDES INDUCING IMMUNOGENIC CELL DEATH PDCD1, BAD, CD47 HDAC3 4231/4885HDAC4 4222/4885HDAC1 4501/4885

“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.