SCHEMBL4890850

SCHEMBL4890850

COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.53
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
CCKBR P32239 5/20 0.50
SIRT5 Q9NXA8 1/20 0.50
CTSL P07711 1/20 0.50
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50

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
SCHEMBL4890847 1.00 TACR1 (0.53) TACR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL13702222 0.90 TACR1 (0.62) TACR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL30906924 0.90 TACR1 (0.62) TACR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL4614285 0.89 NMBR (0.52) TACR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL4880392 0.87 NMBR (0.53) SIRT5CTSK
SCHEMBL4880387 0.87 NMBR (0.53) SIRT5CTSK
SCHEMBL4880375 0.87 NMBR (0.53) SIRT5CTSK
SCHEMBL8259207 0.86 PAX8 (0.50) CTSLCTSSCTSK
SCHEMBL6022730 0.86 CCKBR (0.50) CCKBRSIRT5
SCHEMBL30074815 0.84 KMT2A (0.58) TACR1

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-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-17 US disclosed
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-25 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 (2 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-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF HAVCR2, ADAR, NSUN2 TACR1 2490/4885HDAC3 328/4885HDAC4 868/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH TACR1 4633/4885HDAC3 3231/4885HDAC4 1732/4885

“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.