SCHEMBL6333389

SCHEMBL6333389

CC(C)(C)OC(=O)NC(CCCOS(C)(=O)=O)COS(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MMP9 P14780 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CTSK P43235 10/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
CTSS P25774 2/20 0.35
ATM Q13315 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL6333383 1.00 KDM4E (0.38) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL6333387 1.00 KDM4E (0.38) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL6333451 0.92 CA1 (0.39) CA1CA2CA7CTSKMEN1
SCHEMBL4943500 0.92 CA1 (0.39) CA1CA2CA7CTSKMEN1
SCHEMBL4945179 0.92 CA1 (0.39) CA1CA2CA7CTSKMEN1
SCHEMBL8076292 0.89 CTSK (0.48) CA1CA7CTSKCTSS
SCHEMBL8076295 0.89 CTSK (0.48) CA1CA7CTSKCTSS
SCHEMBL3864219 0.89 SYK (0.40) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL3861382 0.88 CTSK (0.41) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL3861385 0.88 CTSK (0.41) KDM4EUSP2ALDH1A1LMNAMMP9

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-6919457-B2 3-(imidazolyl)-2-aminopropanoic acids PFIZER, INC. (US) 2005-07-19 US disclosed
US-20040192668-A1 3-(imidazolyl)-2-aminopropanoic acids PFIZER INC 2004-09-30 US disclosed
US-6759426-B2 RESPIRATORY SYSTREM DISORDERS; ANTIINFLAMMATORY AGENTS; RHEUMATIC DISORDERS PFIZER INC 2004-07-06 US disclosed
US-20030191107-A1 3-(Imidazolyl)-2-aminopropanoic acids PFIZER INC. 2003-10-09 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-20040192668-A1 3-(imidazolyl)-2-aminopropanoic acids FGB, F2, F11 KDM4E 3514/4885USP2 2944/4885ALDH1A1 273/4885
US-20030191107-A1 3-(Imidazolyl)-2-aminopropanoic acids FGB, F2, F11 KDM4E 3514/4885USP2 2944/4885ALDH1A1 273/4885

“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.