SCHEMBL2544840

SCHEMBL2544840

COCc1csc(CC[C@H](Cc2ccc(C(F)(F)F)nc2)NC(=O)OC(C)(C)C)n1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 12/20 0.46
SLC40A1 Q9NP59 1/20 0.34
ATM Q13315 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CYP3A4 P08684 4/20 0.33
ACACB O00763 1/20 0.33

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
SCHEMBL2544837 1.00 PTPRB (0.46) PTPRBSLC40A1ATMHDAC1HDAC6
SCHEMBL13285667 0.91 PTPRB (0.37) PTPRBSLC40A1ATMHDAC1HDAC6
SCHEMBL1744294 0.90 HDAC1 (0.36) PTPRBSLC40A1HDAC1HDAC6CYP3A4
SCHEMBL12241784 0.89 PTPRB (0.47) PTPRBATMHDAC1HDAC6CYP3A4
SCHEMBL1743725 0.87 TSHR (0.35) PTPRBSLC40A1HDAC1HDAC6CYP3A4
SCHEMBL12267269 0.80 ATM (0.37) PTPRBATMCYP3A4
SCHEMBL12241786 0.79 PTPRB (0.39) PTPRBATMCYP3A4
SCHEMBL12241789 0.79 PTPRB (0.49) PTPRBATMHDAC1HDAC6
SCHEMBL12277487 0.79 PTPRB (0.34) PTPRBATMHDAC1HDAC6CYP3A4
SCHEMBL1742045 0.78 HDAC1 (0.38) SLC40A1HDAC1HDAC6

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 PTPRB 879/4885SLC40A1 3070/4885ATM 332/4885

“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.