SCHEMBL348699

SCHEMBL348699

CC(=O)OCC(=O)Nc1c(C)cc(C=O)cc1C

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
PKM P14618 1/20 0.49
ALDH1A1 P00352 2/20 0.44
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 2/20 0.42
NLRP3 Q96P20 1/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL4088389 0.79 TSHR (0.54) PKMALDH1A1HPGDKDM4EPOLB
SCHEMBL3596396 0.76 NLRP3 (0.60) SMN1; SMN2ALDH1A1HPGDKDM4EPOLB
SCHEMBL3607994 0.76 NLRP3 (0.52) SMN1; SMN2ALDH1A1HPGDKDM4ENLRP3
SCHEMBL348045 0.75 ALDH1A1 (0.67) SMN1; SMN2PKMALDH1A1USP2HPGD
SCHEMBL10717004 0.72 SMN1; SMN2 (0.53) SMN1; SMN2PKMALDH1A1USP2HPGD
SCHEMBL3605792 0.72 RAB9A (0.52) SMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL3600751 0.72 NLRP3 (0.48) SMN1; SMN2HPGDKDM4ENLRP3
SCHEMBL2552959 0.71 MAPT (0.59) SMN1; SMN2ALDH1A1HPGDKDM4EPOLB
SCHEMBL18710355 0.70 SMN1; SMN2 (0.61) SMN1; SMN2PKMALDH1A1USP2HPGD
SCHEMBL4469453 0.70 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1KDM4EPOLBNLRP3

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-20120015905-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. 2012-01-19 US disclosed
US-8053440-B2 Compounds for the prevention and treatment of cardiovascular diseases Resverlogix Corporation (CA) 2011-11-08 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-20120015905-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, HDLBP, FABP3 SMN1; SMN2 3476/4885PKM 2632/4885ALDH1A1 548/4885

“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.