SCHEMBL3494965

SCHEMBL3494965

CCC(CC(C)=O)(C(=O)O)C(=O)c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.43
NPC1 O15118 5/20 0.41
ALDH1A1 P00352 5/20 0.41
RAB9A P51151 5/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
TSHR P16473 2/20 0.40
HPGD P15428 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
HPGDS O60760 1/20 0.39
GSK3B P49841 1/20 0.39
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL4867753 0.84 CES2 (0.52) DAONPC1ALDH1A1RAB9AKMT2A
SCHEMBL3494520 0.76 CTNNB1 (0.48) DAOALDH1A1KMT2AMEN1LMNA
Hydrochloric Acid SCHEMBL27786104 0.74 DAO (0.47) DAONPC1ALDH1A1RAB9AKMT2A
SCHEMBL3196141 0.73 TSHR (0.51) DAONPC1ALDH1A1RAB9AKMT2A
SCHEMBL2059909 0.70 RIPK1 (0.48) NPC1ALDH1A1RAB9AKMT2AMEN1
SCHEMBL17801527 0.68 ALDH1A1 (0.58) DAONPC1ALDH1A1RAB9AKMT2A
SCHEMBL3732383 0.68 CES2 (0.58) DAONPC1ALDH1A1RAB9AKMT2A
SCHEMBL3181932 0.68 CES2 (0.58) DAONPC1ALDH1A1RAB9AKMT2A
SCHEMBL7770764 0.67 ALDH1A1 (0.35) ALDH1A1KMT2AMEN1TSHRCYP2D6
SCHEMBL5394296 0.67 CES2 (0.62) DAONPC1ALDH1A1RAB9AKMT2A

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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension REN, AGTR1, AGTR2 DAO 165/4885NPC1 3189/4885ALDH1A1 1062/4885

“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.