SCHEMBL5162855

SCHEMBL5162855

CCNC(=O)CC(=O)c1cc2ccccc2s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.57
HDAC3 O15379 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC4 P56524 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
BCL2L1 Q07817 1/20 0.53
HRH4 Q9H3N8 1/20 0.48
OPRM1 P35372 3/20 0.47
SLC9A1 P19634 2/20 0.46
NCOR2 Q9Y618 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
OPRD1 P41143 1/20 0.44
OPRL1 P41146 1/20 0.44

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
SCHEMBL5160499 0.85 HDAC3 (0.57) RAB9AHDAC3HDAC1HDAC2HDAC4
SCHEMBL8329057 0.83 RAB9A (0.74) RAB9AHDAC3HDAC1HDAC2HDAC4
SCHEMBL6334117 0.81 BCL2L1 (0.62) RAB9AHDAC3HDAC1HDAC2HDAC4
SCHEMBL9585720 0.80 BCL2L1 (0.66) RAB9AHDAC3HDAC1HDAC2HDAC4
SCHEMBL5162744 0.79 HDAC3 (0.57) RAB9AHDAC3HDAC1HDAC2HDAC4
SCHEMBL5162433 0.78 HDAC3 (0.60) RAB9AHDAC3HDAC1HDAC2HDAC4
SCHEMBL12123735 0.78 BCL2L1 (0.59) RAB9AHDAC3HDAC1HDAC2HDAC4
SCHEMBL5160945 0.78 HDAC3 (0.53) RAB9AHDAC3HDAC1HDAC2HDAC4
SCHEMBL5163526 0.78 HDAC3 (0.53) RAB9AHDAC3HDAC1HDAC2HDAC4
SCHEMBL5163244 0.78 HDAC3 (0.55) RAB9AHDAC3HDAC1HDAC2HDAC4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293899-B2 Ketone transfer hydrogenation of stereoisomerically enriched 3-heteroaryl-3-oxocarboxylic esters by reducing 3-heteroaryl-3-hydroxycarboxylic esters in the presence of a ruthenium-containing catalyst, an amine and formic acid and/or formates LANXESS DEUTSCHLAND GMBH (DE) 2012-10-23 US disclosed
EP-1340746-B1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives SALTIGO GMBH (DE) 2007-02-28 EP disclosed
US-20030225274-A1 Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2003-12-04 US disclosed
EP-1340746-A1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives BAYER AG (DE) 2003-09-03 EP 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-20030225274-A1 Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives GRHPR, HPD, HAAO RAB9A 3428/4885HDAC3 123/4885HDAC1 1196/4885

“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.