Sugi Predict

Sugi Predict / Compounds / SCHEMBL16201919

SCHEMBL16201919

SCHEMBL16201919

CC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H]1CSSC[C@H](C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](C)CCCCN)NC(=O)[C@@H](CCC(N)=O)NC1=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F12 P00748 14/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ HDAC9 Q9UKV0 1/20 0.47
▸ HDAC5 Q9UQL6 1/20 0.47
▸ BECN1 Q14457 4/20 0.46
▸ IL23R Q5VWK5 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
Go-203-2C SCHEMBL29422915 0.92 F12 (0.48) F12HDAC3HDAC4HDAC1HDAC7
SCHEMBL10029500 0.88 F12 (0.46) F12BECN1IL23R
SCHEMBL10063736 0.79 IL23R (0.45) F12BECN1IL23R
SCHEMBL29615189 0.72 F12 (0.62) F12
SCHEMBL29615349 0.72 F12 (0.62) F12
SCHEMBL30773906 0.71 MC4R (0.65) F12
SCHEMBL18767061 0.70 CSNK2A2 (0.48) F12HDAC3HDAC4HDAC1HDAC7
SCHEMBL25589974 0.69 LDHB (0.45) F12HDAC3HDAC4HDAC1HDAC7
SCHEMBL22736777 0.69 SIRT5 (0.46) —
SCHEMBL22061900 0.68 LDHB (0.44) F12HDAC3HDAC4HDAC1HDAC7

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-20140322332-A1 ANTAGONISTS OF MUC1 GENUS ONCOLOGY, LLC (US) 2014-10-30 — — US disclosed
US-20140322332-A1 ANTAGONISTS OF MUC1 GENUS ONCOLOGY, LLC (US) 2014-10-30 — — 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-20140322332-A1 ANTAGONISTS OF MUC1 MUC1, VIP, BID F12 889/4885HDAC3 2698/4885HDAC4 2199/4885

“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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