SCHEMBL3901329

SCHEMBL3901329

CCOC(=O)CCc1cccc(NC(=O)c2cc(-c3ccc(C(F)(F)F)cc3)oc2C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.49
PPARD Q03181 2/20 0.49
PPARA Q07869 2/20 0.49
NR1H4 Q96RI1 2/20 0.49
ALDH1A1 P00352 6/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
TRPV4 Q9HBA0 1/20 0.47
HSPH1 Q92598 1/20 0.46
SYK P43405 1/20 0.45
HPGD P15428 2/20 0.44
CYP1A2 P05177 2/20 0.44
ALOX12 P18054 1/20 0.44
MAPT P10636 3/20 0.43
BRCA1 P38398 1/20 0.43
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MGLL Q99685 1/20 0.42
CYP3A4 P08684 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
SCHEMBL3903239 0.89 NR1H4 (0.61) PPARGPPARDPPARANR1H4ALDH1A1
SCHEMBL3911177 0.85 MEN1 (0.54) PPARGPPARDPPARANR1H4ALDH1A1
SCHEMBL3903326 0.83 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AHPGDCYP1A2
SCHEMBL3909286 0.81 ALDH1A1 (0.51) PPARGPPARDPPARANR1H4ALDH1A1
SCHEMBL5994455 0.79 ALDH1A1 (0.53) PPARGPPARDPPARANR1H4ALDH1A1
SCHEMBL3906536 0.79 MEN1 (0.61) ALDH1A1MEN1KMT2AHPGDCYP1A2
SCHEMBL5990487 0.79 ALDH1A1 (0.63) PPARGPPARDPPARANR1H4ALDH1A1
SCHEMBL13802101 0.78 ALDH1A1 (0.78) PPARGPPARDPPARANR1H4ALDH1A1
SCHEMBL3908417 0.76 FFAR1 (0.43) PPARGPPARAALDH1A1MEN1KMT2A
SCHEMBL3048928 0.75 KCNH2 (0.66) ALDH1A1MEN1KMT2AMAPTKDM4E

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 PPARG 215/4885PPARD 214/4885PPARA 294/4885

“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.