SCHEMBL2550324

SCHEMBL2550324

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C(C)(F)F)c(Br)c1)CN(C(=O)OC(C)(C)C)c1nccs1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
AAK1 Q2M2I8 4/20 0.34
ATM Q13315 1/20 0.34
CYP3A4 P08684 10/20 0.34
PTPN1 P18031 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CTSS P25774 2/20 0.32
CTSK P43235 2/20 0.32
CTSB P07858 1/20 0.32

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
SCHEMBL2550150 0.86 CYP3A4 (0.34) AAK1ATMCYP3A4
SCHEMBL2543390 0.79
SCHEMBL2550327 0.78 ATM (0.38) AAK1ATMCYP3A4CTSSCTSK
SCHEMBL2550321 0.78 ATM (0.38) AAK1ATMCYP3A4CTSSCTSK
SCHEMBL4303581 0.76 PPARG (0.39) AAK1ATMCYP3A4CTSSCTSK
SCHEMBL4303579 0.76 PPARG (0.39) AAK1ATMCYP3A4CTSSCTSK
SCHEMBL2550412 0.76 MLYCD (0.39) TSHRAAK1ATMPTPN1CTSS
SCHEMBL2550153 0.75 ATM (0.35) TSHRAAK1ATMCYP3A4CTSS
SCHEMBL1742109 0.75 ATM (0.37) AAK1ATMCYP3A4CTSSCTSK
SCHEMBL2550148 0.75 ATM (0.35) TSHRAAK1ATMCYP3A4CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-27 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-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE TFEB, PCK2, JAK2 GAA 1896/4885TSHR 1392/4885AAK1 588/4885

“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.