SCHEMBL1744698

SCHEMBL1744698

COC(=O)CCc1ccc(OCc2ccc3ncsc3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
FFAR1 O14842 10/20 0.46
VDR P11473 2/20 0.45
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
PPARD Q03181 1/20 0.45
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FFAR4 Q5NUL3 3/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
AKR1B1 P15121 1/20 0.42

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
SCHEMBL1746756 0.86 FFAR1 (0.58) FFAR1FFAR4AKR1B1
SCHEMBL3590811 0.79 RAB9A (0.56) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL1746499 0.76 RAB9A (0.55) RAB9AFFAR1VDRFFAR4AKR1B1
SCHEMBL1587089 0.76 EPHX2 (0.60) RAB9ANPC1FFAR1VDRADRB2
SCHEMBL1745247 0.75 FFAR1 (0.72) RAB9ANPC1FFAR1SMN1; SMN2FFAR4
SCHEMBL1747136 0.75 FFAR1 (0.72) RAB9ANPC1FFAR1SMN1; SMN2FFAR4
SCHEMBL15679198 0.75 FFAR1 (0.60) MEN1KMT2AFFAR1VDRADRB2
SCHEMBL1745339 0.75 FFAR1 (0.62) FFAR1FFAR4AKR1B1
SCHEMBL6003293 0.75 SLC6A4 (0.47) RAB9ANPC1FFAR1ALDH1A1SMN1; SMN2
SCHEMBL1744617 0.74 FFAR1 (0.80) FFAR1VDRPPARDFFAR4AKR1B1

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 RAB9A 2029/4885NPC1 1470/4885MEN1 2579/4885

“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.