SCHEMBL335782

SCHEMBL335782

CCC(CC(=O)NCl)C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
BIRC2 Q13490 6/20 0.43
MME P08473 1/20 0.38
KMT2A Q03164 1/20 0.37
TSHR P16473 2/20 0.34
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ZDHHC7 Q9NXF8 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL22134317 0.80 CA1 (0.50) CA1CA2BIRC2MMEKMT2A
SCHEMBL184812 0.78
SCHEMBL14821018 0.77 CA1 (0.55) CA1CA2BIRC2MMEKMT2A
SCHEMBL6053670 0.77 CA2 (0.55) CA1CA2BIRC2MMEKMT2A
SCHEMBL9205076 0.77 CA1 (0.55) CA1CA2BIRC2MMEKMT2A
SCHEMBL579960 0.77 CA1 (0.55) CA1CA2BIRC2MMEKMT2A
SCHEMBL9210893 0.76 CA1 (0.50) CA1CA2BIRC2MMEKMT2A
Hydrochloric Acid SCHEMBL28089024 0.75 CA2 (0.64) CA1CA2BIRC2KMT2ATSHR
SCHEMBL4845983 0.75 CA2 (0.64) CA1CA2BIRC2MMEKMT2A
SCHEMBL6741981 0.74

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
EP-1939189-A1 DERIVATIVE HAVING PPAR AGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2008-07-02 EP 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-20090286974-A1 Derivative having ppar agonistic activity PPARD, PPARA, PPARG CA1 4725/4885CA2 4009/4885BIRC2 4861/4885

“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.