SCHEMBL3579032

SCHEMBL3579032

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

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
EPHX1 P07099 1/20 0.45
MDM2 Q00987 1/20 0.44
TLR2 O60603 3/20 0.43
TLR1 Q15399 1/20 0.43
KMT2A Q03164 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
SCHEMBL3588065 0.95 HDAC1 (0.52) HDAC4HDAC1HDAC6EPHX1MDM2
SCHEMBL29653644 0.87 TLR2 (0.52) HDAC4HDAC1HDAC6MDM2TLR2
SCHEMBL29383813 0.84 MDM2 (0.57) MDM2TLR2KMT2A
SCHEMBL30645673 0.84 MDM2 (0.57) MDM2TLR2KMT2A
SCHEMBL29362665 0.84 MDM2 (0.57) MDM2TLR2KMT2A
SCHEMBL30385460 0.84 MDM2 (0.57) MDM2TLR2KMT2A
SCHEMBL30385918 0.84 MDM2 (0.49) MDM2TLR2TLR1KMT2A
SCHEMBL14039221 0.84 MDM2 (0.57) MDM2TLR2KMT2A
SCHEMBL4612512 0.84 MDM2 (0.57) MDM2TLR2KMT2A
SCHEMBL4612515 0.84 MDM2 (0.57) MDM2TLR2KMT2A

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 HDAC4 1252/4885HDAC1 2227/4885HDAC6 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.