SCHEMBL644661

SCHEMBL644661

CC1CC(=O)N2CCCC(C(=O)O)N2C(=O)C1N1C(=O)c2ccccc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.49
MME P08473 3/20 0.42
HSD17B10 Q99714 1/20 0.38
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGAV P06756 1/20 0.34
ITGA5 P08648 1/20 0.34
ITGA4 P13612 1/20 0.34
CASP1 P29466 2/20 0.33

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
SCHEMBL10248656 0.88 CASP3 (0.38) ACEMMEHSD17B10ALDH1A1L3MBTL1
SCHEMBL2219834 0.88 CASP3 (0.38) ACEMMEHSD17B10ALDH1A1L3MBTL1
SCHEMBL3077234 0.88 CASP3 (0.38) ACEMMEHSD17B10ALDH1A1L3MBTL1
SCHEMBL10567702 0.84 ACE (0.53) ACEMMEHSD17B10PDCD1CD274
SCHEMBL5154587 0.79 ACE (0.51) ACEMMEHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL5154520 0.79 ACE (0.51) ACEMMEHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL5158143 0.79 ACE (0.51) ACEMMEHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL5154528 0.79 ACE (0.51) ACEMMEHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL5154165 0.79 ACE (0.51) ACEMMEHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL10561930 0.74 CASP3 (0.39) ACEMMEHSD17B10LMNAALDH1A1

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-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
US-8119631-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-21 US disclosed
US-20050143436-A1 Inhibitors of interleukin-1beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED 2005-06-30 US disclosed
US-6008217-A AN ENZYME INHIBITOR AGAINST INTERLEUKIN-1B, FOR TREATING APOPTOSIS-MEDIATED DISEASES, INCLUDING INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES, PROLIFERATIVE DISORDERS, INFECTIOUS DISEASES, AND DEGENERATIVE DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-12-28 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 (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-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B ACE 16/4885MME 279/4885HSD17B10 1135/4885
US-20050143436-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 ACE 20/4885MME 314/4885HSD17B10 1014/4885

“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.