SCHEMBL2549302

SCHEMBL2549302

CC#Cc1nc(N(C[C@H](Cc2ccc(C(F)(F)F)nc2)NC(=O)OC(C)(C)C)C(=O)O)sc1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.33
CYP3A4 P08684 5/20 0.31
PTPRB P23467 2/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
AKT1 P31749 2/20 0.30
NR1H4 Q96RI1 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
SCHEMBL2549200 0.91 ATM (0.33) ATMCYP3A4PTPRBCTSSCTSK
SCHEMBL2549204 0.91 ATM (0.33) ATMCYP3A4PTPRBCTSSCTSK
SCHEMBL1742999 0.85 ATM (0.31) ATMCTSSCTSK
SCHEMBL2549235 0.85 ATM (0.31) ATMCTSSCTSK
SCHEMBL1744963 0.85 ATM (0.34) ATMCYP3A4PTPRBCTSSCTSK
SCHEMBL1744961 0.85 ATM (0.34) ATMCYP3A4PTPRBCTSSCTSK
SCHEMBL2545438 0.81 ATM (0.37) ATMCYP3A4PTPRBCTSSCTSK
SCHEMBL2545442 0.81 ATM (0.37) ATMCYP3A4PTPRBCTSSCTSK
SCHEMBL2547638 0.80 ATM (0.36) ATMCYP3A4PTPRBCTSSCTSK
SCHEMBL2547634 0.80 ATM (0.36) ATMCYP3A4PTPRBCTSSCTSK

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 ATM 332/4885CYP3A4 2741/4885PTPRB 879/4885

“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.