SCHEMBL7797595

SCHEMBL7797595

COc1ccc(C(=O)C[C@@H](N)C(=O)O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
HDAC3 O15379 2/20 0.54
HDAC4 P56524 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC7 Q8WUI4 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC10 Q969S8 2/20 0.54
HDAC11 Q96DB2 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
HDAC9 Q9UKV0 2/20 0.54
HDAC5 Q9UQL6 2/20 0.54
GSK3B P49841 1/20 0.54
KMO O15229 2/20 0.54
PDE4B Q07343 1/20 0.53
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
GRIK1 P39086 1/20 0.51

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
SCHEMBL7802060 1.00 L3MBTL1 (0.56) L3MBTL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7797596 1.00 L3MBTL1 (0.56) L3MBTL1HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL27416694 0.98 KMO (0.55) L3MBTL1HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL27416693 0.98 KMO (0.55) L3MBTL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL19642535 0.84 GSK3B (0.65) L3MBTL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9222833 0.84 PDE4B (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7801993 0.81 KMO (0.57) L3MBTL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7797484 0.81 KMO (0.57) L3MBTL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7797487 0.81 KMO (0.57) L3MBTL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL10780575 0.81 L3MBTL1 (0.58) L3MBTL1HDAC3HDAC4HDAC1HDAC7

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-20010008947-A1 2-AMINO-4-PHENYL-4-OXO-BUTYRIC ACID DERIVATIVES VARASI MARIO (IT) 2001-07-19 US disclosed
EP-0662948-B1 2-AMINO-4-PHENYL-4-OXO-BUTYRIC ACID DERIVATIVES WITH KYNURENINASE AND/OR KYNURENINE-3-HYDROXYLASE INHIBITING ACTIVITY PHARMACIA & UPJOHN SPA (IT) 1998-10-07 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-20010008947-A1 2-AMINO-4-PHENYL-4-OXO-BUTYRIC ACID DERIVATIVES KYNU, KMO, ABAT L3MBTL1 2859/4885HDAC3 721/4885HDAC4 416/4885

“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.