SCHEMBL4849513

SCHEMBL4849513

COc1cc(Cl)ccc1C(O)c1nccs1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSA P10619 11/20 0.48
KCNMA1 Q12791 1/20 0.45
SMPD3 Q9NY59 1/20 0.38
CHEK1 O14757 1/20 0.37
USP2 O75604 1/20 0.37
SCN9A Q15858 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL14419235 0.89 CTSA (0.48) CTSAKCNMA1SMPD3USP2
SCHEMBL12475399 0.85 CTSA (0.47) CTSASMPD3CHEK1
SCHEMBL4849102 0.75 ALDH1A1 (0.38) CTSAKCNMA1USP2CNR2
SCHEMBL29752075 0.73 ACHE (0.52) CTSA
SCHEMBL4858097 0.73 CNR2 (0.36) KCNMA1CNR2
SCHEMBL759089 0.73 CTSA (0.40) CTSA
SCHEMBL6011470 0.71 FFAR2 (0.46) CTSACNR2
SCHEMBL2616488 0.71 KMT2A (0.51) CTSA
SCHEMBL6239164 0.71 LPAR1 (0.44)
SCHEMBL8309981 0.70 CA1 (0.36) CTSA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 US disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 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-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CTSA 3810/4885KCNMA1 2141/4885SMPD3 2153/4885

“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.