SCHEMBL21392317

SCHEMBL21392317

O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)ON1C(=O)CCC1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.57
RAB9A P51151 2/20 0.57
CYP1A2 P05177 2/20 0.54
FFAR1 O14842 1/20 0.54
LMNA P02545 1/20 0.54
HIF1A Q16665 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.49
HPGD P15428 3/20 0.49
PARL Q9H300 1/20 0.44
MAPT P10636 3/20 0.44
PTPN1 P18031 1/20 0.44
GSK3B P49841 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
CYP3A4 P08684 2/20 0.42
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
HAO1 Q9UJM8 1/20 0.42

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
SCHEMBL13997654 0.91 NR4A2 (0.49) SMN1; SMN2RAB9ACYP1A2LMNAL3MBTL1
SCHEMBL28775907 0.83 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ACYP1A2FFAR1LMNA
SCHEMBL10720603 0.83 L3MBTL1 (0.50) SMN1; SMN2RAB9ALMNAL3MBTL1MAPT
SCHEMBL11064187 0.83 NPC1 (0.49) SMN1; SMN2RAB9ALMNAL3MBTL1HPGD
SCHEMBL4738882 0.80 LMNA (0.51) SMN1; SMN2RAB9ALMNAHPGDPARL
SCHEMBL21993327 0.80 MMP3 (0.52) FFAR1LMNAPARLHDAC1HDAC8
SCHEMBL4872950 0.79 SMN1; SMN2 (0.54) SMN1; SMN2RAB9AHPGDPARLMAPT
SCHEMBL27463054 0.77 MGLL (0.42) SMN1; SMN2RAB9ACYP1A2HPGDPARL
SCHEMBL43576 0.76 PSMB8 (0.35) SMN1; SMN2LMNAHPGDPARLKMT2A
SCHEMBL17521947 0.76 ALDH1A1 (0.39) SMN1; SMN2RAB9AHDAC1HDAC8KMT2A

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-20210052748-A1 NOVEL COMPOUND, ANTIINFLAMMATORY DRUG COMPRISING THE COMPOUND AND CYCLOOXYGENASE-2 INHIBITOR COMPRISING THE COMPOUND CHANG, YONG MIN (KR) 2021-02-25 US disclosed
WO-2019182395-A1 COMPOUND HAVING NOVEL STRUCTURE, ANTI-INFLAMMATORY AGENT COMPRISING SAME, AND CYCLOOXYGENASE-2 INHIBITOR COMPRISING SAME 장용민 2019-09-26 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 (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-20210052748-A1 NOVEL COMPOUND, ANTIINFLAMMATORY DRUG COMPRISING THE COMPOUND AND CYCLOOXYGENASE-2 INHIBITOR COMPRISING THE COMPOUND PTGS2, PTGS1, PTGES2 SMN1; SMN2 2447/4885RAB9A 4029/4885CYP1A2 401/4885

“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.