SCHEMBL5832039

SCHEMBL5832039

NC1CCCCC2CCC(C(=O)O)N2C1=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XIAP P98170 10/20 0.38
ACE P12821 1/20 0.38
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 1/20 0.35
APEX1 P27695 1/20 0.35
BIRC3 Q13489 1/20 0.35
BIRC2 Q13490 1/20 0.35
BIRC8 Q96P09 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL8358700 1.00 XIAP (0.38) XIAPACELMNACYP3A4TSHR
SCHEMBL5832021 1.00 XIAP (0.38) XIAPACELMNACYP3A4TSHR
SCHEMBL9609014 0.97 ACE (0.40) XIAPACECYP3A4TSHRTDP1
SCHEMBL26256186 0.97 ACE (0.40) XIAPACECYP3A4TSHRTDP1
SCHEMBL10331862 0.97 ACE (0.40) XIAPACECYP3A4TSHRTDP1
SCHEMBL12034318 0.97 ACE (0.40) XIAPACECYP3A4TSHRTDP1
SCHEMBL10331868 0.92 ACE (0.43) XIAPACELMNACYP3A4TSHR
SCHEMBL7372848 0.92 ACE (0.43) XIAPACELMNACYP3A4TSHR
SCHEMBL7372845 0.92 ACE (0.43) XIAPACELMNACYP3A4TSHR
SCHEMBL10332106 0.92 ACE (0.43) XIAPACELMNACYP3A4TSHR

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-7041696-B2 Interleukin-1β converting enzyme inhibitors THE PROCTER & GAMBLE COMPANY (US) 2006-05-09 US disclosed
EP-1513844-A1 NOVEL INTERLEUKIN-1 BETA CONVERTING ENZYME INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2005-03-16 EP disclosed
US-20030236296-A1 Novel interleukin-1beta converting enzyme inhibitors THE PROCTER & GAMBLE COMPANY 2003-12-25 US disclosed
WO-2003106460-A1 NOVEL INTERLEUKIN-1 BETA CONVERTING ENZYME INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2003-12-24 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-20030236296-A1 Novel interleukin-1beta converting enzyme inhibitors IL1R1, IL1B, IL1RN XIAP 579/4885ACE 60/4885LMNA 2952/4885

“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.