SCHEMBL2399882

SCHEMBL2399882

CCC(C[C@@H]1CCCO1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
HTR2A P28223 8/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
CYP3A4 P08684 2/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD1 P21728 1/20 0.38
SLC6A4 P31645 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL2397125 1.00 USP2 (0.42) USP2SMN1; SMN2TP53HPGDALOX12
SCHEMBL1716814 1.00 USP2 (0.42) USP2SMN1; SMN2TP53HPGDALOX12
SCHEMBL1916140 0.95 USP2 (0.38) USP2SMN1; SMN2TP53HPGDALOX12
SCHEMBL2398526 0.95 USP2 (0.38) USP2SMN1; SMN2TP53HPGDALOX12
SCHEMBL2398386 0.95 USP2 (0.38) USP2SMN1; SMN2TP53HPGDALOX12
SCHEMBL1705698 0.86 USP2 (0.42) USP2SMN1; SMN2TP53HPGDALOX12
SCHEMBL29191695 0.83 GRIK1 (0.43) USP2SMN1; SMN2TP53HPGDALOX12
SCHEMBL28610035 0.83 USP2 (0.42) USP2SMN1; SMN2TP53HPGDALOX12
SCHEMBL4438745 0.83 CPN1 (0.47) USP2SMN1; SMN2TP53HPGDALOX12
SCHEMBL2183962 0.80 CA2 (0.42) USP2ALDH1A1HTR2ACHRM1DRD3

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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC USP2 4261/4885SMN1; SMN2 3353/4885TP53 4663/4885

“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.