SCHEMBL3512925

SCHEMBL3512925

CCOC(=O)/C(=C\C1CCOCC1)c1ccc(SC2CC2)c(Br)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.35
ALDH1A1 P00352 3/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 3/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 2/20 0.32
RHEB Q15382 1/20 0.32
GCK P35557 1/20 0.32
GAA P10253 2/20 0.32
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
GLA P06280 1/20 0.31
ATM Q13315 1/20 0.31
PDE4D Q08499 2/20 0.30
PDE4A P27815 1/20 0.30

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
SCHEMBL3512927 1.00 PDE4B (0.35) PDE4BALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL13033254 0.94 PDE4B (0.34) PDE4BALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL13033248 0.91 ALDH1A1 (0.38) PDE4BALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL2653073 0.84 GCK (0.36) PDE4BALDH1A1POLBSMN1; SMN2HPGD
SCHEMBL13145579 0.83 HPGD (0.33) ALDH1A1POLBSMN1; SMN2KMT2AHPGD
SCHEMBL13033309 0.82 TSHR (0.35) PDE4BALDH1A1KMT2AMEN1MAPK1
SCHEMBL13609532 0.81 ALDH1A1 (0.38) PDE4BALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL14236636 0.81 GCK (0.35) PDE4BALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL3511866 0.81 GCK (0.35) PDE4BALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL3511860 0.81 GCK (0.35) PDE4BALDH1A1POLBSMN1; SMN2KMT2A

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-20130102617-A1 METHOD OF TREATING DIABETES, METABOLIC SYNDROME AND OBESITY USING PHENYLACETAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2013-04-25 US disclosed
US-8329707-B2 Substituted pyrazine compounds ASTELLAS PHARMA INC. (JP) 2012-12-11 US disclosed
US-20100286171-A1 PHENYLACETAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-11-11 US disclosed
EP-2236498-A1 PHENYL ACETAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2010-10-06 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 (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-20100286171-A1 PHENYLACETAMIDE DERIVATIVE AADAC, PGC, PC PDE4B 479/4885ALDH1A1 2061/4885POLB 3457/4885
US-20130102617-A1 METHOD OF TREATING DIABETES, METABOLIC SYNDROME AND OBESITY USING PHENYLACETAMIDE DERIVATIVE PC, PCK2, GCKR PDE4B 1894/4885ALDH1A1 1865/4885POLB 2670/4885

“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.