SCHEMBL18504802

SCHEMBL18504802

C=C(O)C[C@@H]1NC(=O)CNC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.46
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
ITGB3 P05106 2/20 0.45
ITGAV P06756 2/20 0.45
ITGA2B P08514 1/20 0.45
SSTR2 P30874 4/20 0.44
SSTR5 P35346 4/20 0.44
SSTR4 P31391 2/20 0.44
LDLR P01130 1/20 0.43
PCSK9 Q8NBP7 1/20 0.43
ROR1 Q01973 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
SCHEMBL18504798 1.00 HDAC8 (0.46) HDAC8HDAC3HDAC1HDAC2HDAC10
SCHEMBL22193945 0.94 ITGB3 (0.51) HDAC8HDAC3HDAC1HDAC2HDAC10
SCHEMBL22193994 0.94 ITGB3 (0.51) HDAC8HDAC3HDAC1HDAC2HDAC10
SCHEMBL24433486 0.94 ITGB3 (0.51) HDAC8HDAC3HDAC1HDAC2HDAC10
SCHEMBL22193877 0.94 ITGB3 (0.51) HDAC8HDAC3HDAC1HDAC2HDAC10
SCHEMBL18504811 0.86 HDAC8 (0.42) HDAC8HDAC3HDAC1HDAC2HDAC10
SCHEMBL18504799 0.86 HDAC8 (0.42) HDAC8HDAC3HDAC1HDAC2HDAC10
SCHEMBL18504804 0.86 HDAC8 (0.42) HDAC8HDAC3HDAC1HDAC2HDAC10
SCHEMBL18504816 0.86 HDAC8 (0.42) HDAC8HDAC3HDAC1HDAC2HDAC10
SCHEMBL18504813 0.84 ITGB3 (0.41) HDAC8HDAC3HDAC1HDAC2HDAC10

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-20170044236-A1 Integrin Antagonists THE GENERAL HOSPITAL CORPORATION 2017-02-16 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-20170044236-A1 Integrin Antagonists ITGA5, ITGB5, ITGB3 HDAC8 1204/4885HDAC3 258/4885HDAC1 689/4885

“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.