SCHEMBL8199232

SCHEMBL8199232

COC(=O)C(Br)C(=O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
ZDHHC7 Q9NXF8 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA14 Q9ULX7 3/20 0.32
CA12 O43570 2/20 0.31
KMT2A Q03164 2/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL690839 0.79 SMN1; SMN2 (0.48) SMN1; SMN2ZDHHC7CA1CA2CA14
SCHEMBL330404 0.79 ALDH1A1 (0.32) ALDH1A1
SCHEMBL3321641 0.79 ALDH1A1 (0.32) ALDH1A1
SCHEMBL3277859 0.77 ALDH1A1 (0.39) SMN1; SMN2CA1CA2CA14CA12
SCHEMBL10782791 0.75 SMN1; SMN2 (0.40) SMN1; SMN2CA1CA2CA14CA12
SCHEMBL11838499 0.74 DGAT1 (0.41) SMN1; SMN2ZDHHC7CA1CA2CA14
SCHEMBL9130100 0.72
SCHEMBL1512190 0.72
SCHEMBL80876 0.71 HSP90AA1 (0.44) SMN1; SMN2CA1CA2CA14CA12
SCHEMBL11287379 0.70 SMN1; SMN2 (0.40) SMN1; SMN2ZDHHC7CA1CA2CA14

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-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 US disclosed
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 US disclosed
WO-2008082490-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2008-07-10 WO 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-20100298314-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK2, MAP4K2 SMN1; SMN2 2617/4885ZDHHC7 1483/4885CA1 4783/4885

“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.