SCHEMBL16017019

SCHEMBL16017019

Cc1cc2cc(B(O)O)sc2cc1C

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.52
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
STING1 Q86WV6 1/20 0.38

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
SCHEMBL2945825 0.76 MGLL (0.58) MGLL
SCHEMBL29952719 0.76 MGLL (0.58) MGLL
SCHEMBL289762 0.76 MGLL (0.58) MGLL
SCHEMBL16010075 0.75 MGLL (0.47) MGLLSTING1
SCHEMBL29395040 0.73 MGLL (0.71) MGLL
SCHEMBL13829205 0.71 MGLL (0.56) MGLLTSHR
SCHEMBL12264660 0.71 MGLL (0.56) MGLL
SCHEMBL862527 0.70 GAA (0.43) GAAALDH1A1TP53CYP3A4TSHR
SCHEMBL28736525 0.70 DAO (0.45) MGLLGAACYP3A4TSHR
SCHEMBL29954520 0.69 MGLL (0.60) MGLL

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-20160228437-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS Califia Bio, Inc. 2016-08-11 US disclosed
US-9370515-B2 Mixed lineage kinase inhibitors and method of treatments Califia Bio, Inc. (US) 2016-06-21 US disclosed
US-20140256733-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS Califia Bio, Inc. (US) 2014-09-11 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-20160228437-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS MAP3K2, MAP3K1, MAP3K20 MGLL 2519/4885GAA 2147/4885ALDH1A1 3770/4885
US-20140256733-A1 MIXED LINEAGE KINASE INHIBITORS AND METHOD OF TREATMENTS MAP3K2, MAP3K1, MAP3K20 MGLL 2519/4885GAA 2147/4885ALDH1A1 3770/4885

“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.