SCHEMBL3905258

SCHEMBL3905258

COC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)oc1COC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
KDM4E B2RXH2 4/20 0.44
CFTR P13569 1/20 0.43
ERAP1 Q9NZ08 1/20 0.39
NOTUM Q6P988 1/20 0.38
FFAR1 O14842 1/20 0.38
BACE1 P56817 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
AR P10275 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2E1 P05181 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36

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
SCHEMBL3101610 0.89 KDM4E (0.46) MAPTKDM4ECFTRERAP1FFAR1
SCHEMBL3095623 0.86 MAPT (0.44) MAPTKDM4ECFTRERAP1NOTUM
SCHEMBL3105122 0.85 KDM4E (0.47) MAPTKDM4ECFTRERAP1NOTUM
SCHEMBL5860698 0.84 KDM4E (0.46) MAPTKDM4ECFTRERAP1NOTUM
SCHEMBL3100382 0.82 KDM4E (0.45) MAPTKDM4ECFTRERAP1FFAR1
SCHEMBL3913204 0.81 KDM4E (0.44) MAPTKDM4ECFTRERAP1NOTUM
SCHEMBL3905609 0.79 MAPT (0.43) MAPTKDM4EERAP1FFAR1MRGPRX4
SCHEMBL3101093 0.79 CFTR (0.50) MAPTKDM4ECFTRERAP1FFAR1
SCHEMBL3095895 0.78 KDM4E (0.47) MAPTKDM4ECFTRERAP1FFAR1
Hydrochloric Acid SCHEMBL5860788 0.78 KDM4E (0.42) MAPTKDM4ECFTRERAP1FFAR1

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
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-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 MAPT 4697/4885KDM4E 3120/4885CFTR 2236/4885

“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.