SCHEMBL18197271

SCHEMBL18197271

CC(=O)SCC(=O)NCC(C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
HPGD P15428 2/20 0.37
MME P08473 2/20 0.36
APAF1 O14727 1/20 0.35
ACE P12821 1/20 0.35
USP2 O75604 1/20 0.35
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
FOLH1 Q04609 2/20 0.32
NAALAD2 Q9Y3Q0 2/20 0.32

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
SCHEMBL9729998 0.79 HDAC3 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21310453 0.75 LIPG (0.34) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7506619 0.74 APAF1 (0.40) HPGDAPAF1CYP2D6CYP2C19FOLH1
SCHEMBL4189531 0.74 MEN1 (0.44) APAF1CYP2D6CYP2C19FOLH1NAALAD2
SCHEMBL468822 0.73 MTNR1A (0.44) APAF1CYP2D6CYP2C19FOLH1NAALAD2
SCHEMBL15474169 0.73 APAF1 (0.37) APAF1CYP2D6CYP2C19FOLH1NAALAD2
SCHEMBL9730277 0.73 ALDH1A1 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27761217 0.72 CYP2D6 (0.43) HPGDAPAF1CYP2D6CYP2C19GABRR1
SCHEMBL18197258 0.72 APAF1 (0.43) MMEAPAF1ACECYP2D6CYP2C19
SCHEMBL14110253 0.71 MCL1 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210239704-A1 ANALOGS AND CONJUGATES OF BETA-AMINOISOBUTYRIC ACID (BAIB) IDEXX LABORATORIES, INC. 2021-08-05 US disclosed
US-20180120326-A1 METHODS FOR DETECTING RENAL DISEASE IDEXX LABORATORIES, INC. 2018-05-03 US disclosed
WO-2016176691-A1 METHODS FOR DETECTING RENAL DISEASE IDEXX LABORATORIES, INC. (US) 2016-11-03 WO 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-20210239704-A1 ANALOGS AND CONJUGATES OF BETA-AMINOISOBUTYRIC ACID (BAIB) GABRB1, GABRB2, GABRB3 HDAC3 1845/4885HDAC4 1647/4885HDAC1 2785/4885
US-20180120326-A1 METHODS FOR DETECTING RENAL DISEASE ABAT, SLC1A5, DAO HDAC3 2962/4885HDAC4 3352/4885HDAC1 3118/4885

“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.