SCHEMBL1745259

SCHEMBL1745259

OCc1cc2c(C(F)(F)F)cccc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.50
CYP2A6 P11509 1/20 0.47
GPR52 Q9Y2T5 1/20 0.38
PTPN2 P17706 1/20 0.37
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRA5 P31644 1/20 0.34
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
AXL P30530 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
SCHEMBL30971749 0.83 SLC9A1 (0.47) SLC9A1GPR52HDAC3HDAC4HDAC1
SCHEMBL2094564 0.80 SLC9A1 (0.44) SLC9A1GPR52HDAC3HDAC4HDAC1
SCHEMBL717886 0.79 CYP2A6 (0.53) SLC9A1CYP2A6ICAM1SELESLC22A12
SCHEMBL5918418 0.77 SLC9A1 (0.54) SLC9A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL17400909 0.75 SLC9A1 (0.51) SLC9A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL27293788 0.75 CYP2A6 (0.53) CYP2A6ICAM1SELESLC22A12
SCHEMBL5504567 0.74 SLC9A1 (0.50) SLC9A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL31377643 0.74 CYP2A6 (0.52) SLC9A1CYP2A6PTPN2HDAC3HDAC4
SCHEMBL29058591 0.74 CYP2A6 (0.52) SLC9A1CYP2A6HDAC3HDAC4HDAC1
SCHEMBL1851165 0.74 CYP2A6 (0.52) SLC9A1CYP2A6PTPN2HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1559422-B1 RECEPTOR FUNCTION CONTROLLING AGENT TAKEDA PHARMACEUTICAL (JP) 2014-04-30 EP disclosed
EP-2385032-A1 GPR40 Receptor function regulator Takeda Pharmaceutical Company Limited (JP) 2011-11-09 EP disclosed
US-7960369-B2 Receptor function regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US disclosed
US-20090012093-A1 Receptor Function Regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-08 US disclosed
EP-1559422-A1 RECEPTOR FUNCTION CONTROLLING AGENT Takeda Pharmaceutical Company Limited (JP) 2005-08-03 EP 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-20090012093-A1 Receptor Function Regulator GPR119, GIPR, INSR SLC9A1 1127/4885CYP2A6 3397/4885GPR52 10/4885

“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.