SCHEMBL3913440

SCHEMBL3913440

CCOC(=O)C(C)(C)Oc1ccc(OCc2oc(-c3ccc(C(F)(F)F)cc3)cc2C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 11/20 0.50
PPARA Q07869 9/20 0.50
PPARG P37231 5/20 0.50
ABCB11 O95342 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
HTR2A P28223 1/20 0.42
PMP22 Q01453 1/20 0.42
PTGER4 P35408 1/20 0.41
PTPN1 P18031 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
KDM4C Q9H3R0 1/20 0.38
RXRA P19793 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
SCHEMBL13791451 0.90 PPARD (0.50) PPARDPPARAPPARGABCB11CYP1A2
SCHEMBL3905701 0.87 PPARD (0.43) PPARDPPARAPPARGABCB11CYP1A2
SCHEMBL3904783 0.87 PPARD (0.48) PPARDPPARAPPARGABCB11CYP1A2
SCHEMBL3905175 0.82 PPARD (0.43) PPARDPPARAPPARGABCB11CYP1A2
SCHEMBL3906708 0.81 PPARD (0.64) PPARDPPARAPPARGTSHRMEN1
SCHEMBL3907372 0.80 PPARD (0.46) PPARDPPARAPPARGPTPN1
SCHEMBL3905979 0.80 PPARD (0.47) PPARDPPARAPPARGPTGER4MEN1
SCHEMBL21991824 0.78 MAOB (0.59) PPARDPPARAPPARGABCB11CYP1A2
SCHEMBL3907336 0.77 FBP1 (0.49) PPARDPPARAPPARGABCB11CYP1A2
SCHEMBL3906338 0.77 FBP1 (0.49) PPARDPPARAPPARGABCB11CYP1A2

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

“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.