SCHEMBL3900575

SCHEMBL3900575

CCOC(=O)CC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)oc1CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.41
ERAP1 Q9NZ08 1/20 0.40
MIF P14174 1/20 0.40
ALDH1A1 P00352 1/20 0.40
BRCA1 P38398 1/20 0.40
MAPT P10636 4/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CRHBP P24387 1/20 0.38
KMT2A Q03164 1/20 0.38
CRHR2 Q13324 1/20 0.38
TRPM2 O94759 1/20 0.37
FFAR1 O14842 1/20 0.37
TP53 P04637 1/20 0.37
PPARG P37231 2/20 0.36
EPHX2 P34913 1/20 0.36
HIF1A Q16665 1/20 0.36
AR P10275 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL13802200 0.87 MIF (0.44) MIFALDH1A1BRCA1MAPTKDM4E
SCHEMBL3105122 0.82 KDM4E (0.47) NPSR1ERAP1ALDH1A1MAPTKDM4E
SCHEMBL3901319 0.81 FFAR1 (0.42) NPSR1ERAP1ALDH1A1MAPTKDM4E
SCHEMBL3903168 0.80 ALDH1A1 (0.50) ERAP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3905609 0.76 MAPT (0.43) NPSR1ERAP1MAPTKDM4EMEN1
SCHEMBL2238087 0.76 MAPT (0.47) NPSR1ERAP1ALDH1A1BRCA1MAPT
SCHEMBL3908417 0.74 FFAR1 (0.43) NPSR1ERAP1ALDH1A1BRCA1MAPT
SCHEMBL3904599 0.74 FFAR1 (0.41) ERAP1ALDH1A1MAPTKDM4EMEN1
SCHEMBL13791078 0.74 MLYCD (0.45) NPSR1MAPTKDM4EMEN1HSP90AA1
SCHEMBL3095623 0.74 MAPT (0.44) NPSR1ERAP1ALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 US disclosed
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 US disclosed
US-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED INTELLECTUAL PROPERTY DEPARTMENT (JP) 2006-05-11 US disclosed
EP-1535915-A1 FURAN OR THIOPHENE DERIVATIVE AND MEDICINAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-01 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-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TXN2, CYP11B2, CYP11B1 NPSR1 1170/4885ERAP1 2416/4885MIF 2033/4885

“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.