SCHEMBL3905609

SCHEMBL3905609

CCOCc1oc(-c2ccc(C(F)(F)F)cc2)cc1C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
HSP90AA1 P07900 1/20 0.43
CRHBP P24387 1/20 0.43
KMT2A Q03164 1/20 0.43
CRHR2 Q13324 1/20 0.43
TP53 P04637 1/20 0.41
HIF1A Q16665 1/20 0.40
MAPK1 P28482 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39
THRB P10828 1/20 0.39
TNKS O95271 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL3095623 0.91 MAPT (0.44) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL2238087 0.84 MAPT (0.47) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL3101610 0.80 KDM4E (0.46) MAPTKDM4EMEN1KMT2AMRGPRX4
SCHEMBL3905258 0.79 MAPT (0.44) MAPTKDM4EMEN1KMT2ATP53
SCHEMBL3906472 0.78 CYP1A1 (0.39) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL3105122 0.78 KDM4E (0.47) MAPTKDM4EMEN1KMT2AMAPK1
SCHEMBL3900575 0.76 NPSR1 (0.41) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL3098853 0.76 MAOA (0.41) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL5860698 0.75 KDM4E (0.46) MAPTKDM4EMEN1KMT2ATP53
SCHEMBL3913204 0.74 KDM4E (0.44) MAPTKDM4EMEN1HSP90AA1KMT2A

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 3120/4885MEN1 1309/4885

“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.