SCHEMBL1744294

SCHEMBL1744294

COCc1csc(CCC(Cc2ccc(C(F)(F)F)nc2)NC(=O)O)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.36
HDAC6 Q9UBN7 5/20 0.36
SLC40A1 Q9NP59 1/20 0.36
PTPRB P23467 2/20 0.35
TKT P29401 1/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
KCNQ4 P56696 1/20 0.34
KCNQ5 Q9NR82 1/20 0.34
ACACB O00763 1/20 0.34
ADORA2A P29274 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2C8 P10632 1/20 0.34
ADORA2B P29275 1/20 0.34
PPARD Q03181 1/20 0.33
KCNH2 Q12809 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGAV P06756 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
SCHEMBL2544837 0.90 PTPRB (0.46) HDAC1HDAC6SLC40A1PTPRBACACB
SCHEMBL2544840 0.90 PTPRB (0.46) HDAC1HDAC6SLC40A1PTPRBACACB
SCHEMBL1742045 0.88 HDAC1 (0.38) HDAC1HDAC6SLC40A1TKTADORA2A
SCHEMBL1743725 0.87 TSHR (0.35) HDAC1HDAC6SLC40A1PTPRBKCNQ3
SCHEMBL13285667 0.80 PTPRB (0.37) HDAC1HDAC6SLC40A1PTPRBADORA2A
SCHEMBL12241784 0.80 PTPRB (0.47) HDAC1HDAC6PTPRBCYP3A4
SCHEMBL1742576 0.75 HDAC1 (0.50) HDAC1HDAC6PTPRBKDM4E
SCHEMBL3644221 0.74 TRPV3 (0.42) TKTKCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL1743303 0.72 TRPV3 (0.41) TKTKCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL1744297 0.72 KCNQ3 (0.37) KCNQ3KCNQ2KCNQ4KCNQ5CYP2D6

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
EP-2387570-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2011-11-23 EP disclosed
US-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-27 US disclosed
WO-2010083246-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-07-22 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-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE TFEB, PCK2, JAK2 HDAC1 468/4885HDAC6 362/4885SLC40A1 3070/4885

“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.