SCHEMBL3904677

SCHEMBL3904677

COC(=O)C(C)(C)Cc1ccc(OCc2oc(-c3ccc(C(F)(F)F)cc3)cc2C(=O)OCC[Si](C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 8/20 0.40
PPARA Q07869 7/20 0.40
PPARG P37231 4/20 0.40
SMPD1 P17405 1/20 0.38
RXRA P19793 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
MAOB P27338 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
DGAT1 O75907 2/20 0.35
MAPT P10636 1/20 0.35
PTGER4 P35408 1/20 0.34
FFAR1 O14842 1/20 0.34

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
SCHEMBL3906534 0.93 PPARD (0.41) PPARDPPARAPPARGRXRANR1H2
SCHEMBL3905979 0.86 PPARD (0.47) PPARDPPARAPPARGSMPD1RXRA
SCHEMBL3904680 0.85 PPARD (0.40) PPARDPPARAPPARGSMPD1RXRA
SCHEMBL3905701 0.83 PPARD (0.43) PPARDPPARAPPARGRXRANR1H2
SCHEMBL13790898 0.83 PPARD (0.46) PPARDPPARAPPARGSMPD1RXRA
SCHEMBL3911360 0.81 PPARD (0.42) PPARDPPARAPPARGSMPD1RXRA
SCHEMBL3902951 0.77 PPARD (0.45) PPARDPPARAPPARGMAOBFFAR1
SCHEMBL3903290 0.76 PTGER4 (0.40) PPARDPPARAPPARGSMPD1RXRA
SCHEMBL3907309 0.74 PPARD (0.49) PPARDPPARAPPARGRXRANR1H2
SCHEMBL3905472 0.74 NPC1 (0.40) PPARAPPARGNPC1RAB9AMAPT

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.