SCHEMBL3588065

SCHEMBL3588065

CC(C)(C)OC(=O)NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.52
HDAC4 P56524 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
TLR2 O60603 3/20 0.47
TLR1 Q15399 1/20 0.47
MDM2 Q00987 1/20 0.46
KMT2A Q03164 1/20 0.44
EPHX1 P07099 1/20 0.44
KLK7 P49862 1/20 0.42
KLK5 Q9Y337 1/20 0.42
HDAC2 Q92769 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
SCHEMBL3579032 0.95 HDAC4 (0.49) HDAC1HDAC4HDAC6TLR2TLR1
SCHEMBL29653644 0.92 TLR2 (0.52) HDAC1HDAC4HDAC6TLR2TLR1
SCHEMBL19542142 0.85 TLR2 (0.51) TLR2TLR1MDM2KMT2AKLK7
SCHEMBL29397631 0.85 MDM2 (0.59) TLR2TLR1MDM2KMT2A
SCHEMBL30477936 0.85 MDM2 (0.59) TLR2TLR1MDM2KMT2A
SCHEMBL29400055 0.85 MDM2 (0.59) TLR2TLR1MDM2KMT2A
SCHEMBL1637300 0.85 MDM2 (0.59) TLR2TLR1MDM2KMT2A
SCHEMBL1638340 0.85 MDM2 (0.59) TLR2TLR1MDM2KMT2A
SCHEMBL178814 0.85 MDM2 (0.59) TLR2TLR1MDM2KMT2A
SCHEMBL30492090 0.84 KMT2A (0.52) TLR2TLR1MDM2KMT2A

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-20100048549-A1 Peptidomimetics selective for the somatostatin receptor subtypes 1 and/or 4 Wurster, Siegfried (FI) 2010-02-25 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-20100048549-A1 Peptidomimetics selective for the somatostatin receptor subtypes 1 and/or 4 SSTR1, SSTR4, SSTR3 HDAC1 2227/4885HDAC4 1252/4885HDAC6 3041/4885

“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.