SCHEMBL12450650

SCHEMBL12450650

O=CCNC(=O)Cn1cccc(NC(=O)CCc2ccccc2)c1=O

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 6/20 0.67
IL1B P01584 2/20 0.48
POLB P06746 3/20 0.47
GAA P10253 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
IL1RN P18510 1/20 0.46
ERAP2 Q6P179 1/20 0.46
ERAP1 Q9NZ08 1/20 0.46

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
SCHEMBL949229 0.85 CASP1 (0.69) CASP1IL1BPOLBGAANPC1
SCHEMBL27476686 0.81 CASP1 (0.61) CASP1IL1BPOLBGAANPC1
SCHEMBL4454203 0.80 CASP1 (1.00) CASP1IL1BPOLB
SCHEMBL12914539 0.80 CASP1 (1.00) CASP1IL1BPOLB
SCHEMBL12450671 0.80 CASP1 (0.68) CASP1IL1BPOLBGAANPC1
SCHEMBL12450653 0.79 CASP1 (0.70) CASP1IL1BPOLBGAANPC1
SCHEMBL12914457 0.79 CASP1 (0.85) CASP1IL1BPOLBKDM4EALDH1A1
SCHEMBL12450463 0.79 CASP1 (0.85) CASP1IL1BPOLBKDM4EALDH1A1
SCHEMBL868395 0.76 MAPT (0.61) RAB9AKDM4EALDH1A1LMNAMAPT
SCHEMBL8648026 0.74 ALDH1A1 (0.58) CASP1IL1BPOLBGAANPC1

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-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 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-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1B, IL1A, IL1R1 CASP1 5/4885IL1B 1/4885POLB 1635/4885

“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.