SCHEMBL10201339

SCHEMBL10201339

CC(=O)c1cc(Cl)c(CO)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA5A P35218 1/20 0.43
▸ PKM P14618 1/20 0.41
▸ LMNA P02545 1/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ TTR P02766 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MAOA P21397 4/20 0.34
▸ MAOB P27338 4/20 0.34
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ ESR1 P03372 1/20 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
SCHEMBL19512827 0.83 CA5A (0.43) CA5APKMLMNAKMT2ATTR
SCHEMBL8979344 0.80 TTR (0.58) CA5ALMNATTRKDM4EALDH1A1
SCHEMBL8979392 0.78 LMNA (0.46) LMNATTRKDM4EALDH1A1GAA
SCHEMBL1438280 0.78 — —
SCHEMBL7779178 0.77 CA5A (0.50) CA5ALMNAKMT2ATTRKDM4E
SCHEMBL10201806 0.76 CA5A (0.44) CA5APKMLMNAKMT2AKDM4E
SCHEMBL12253686 0.76 PKM (0.57) CA5APKMLMNAKMT2AKDM4E
SCHEMBL10900855 0.75 CA5A (0.48) CA5ALMNAKMT2ATTRKDM4E
SCHEMBL3243039 0.75 TTR (0.62) CA5ALMNATTRALDH1A1TSHR
SCHEMBL5872407 0.73 CA5A (0.46) CA5APKMLMNAKMT2ATTR

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 6 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-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-8119631-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-21 — — US disclosed
US-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 — — US disclosed
US-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 — — 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-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B CA5A 1845/4885PKM 3908/4885LMNA 485/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B CA5A 1845/4885PKM 3908/4885LMNA 485/4885

“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.

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