SCHEMBL3903290

SCHEMBL3903290

COC(=O)C(C)(C)Cc1ccc(OCc2oc(-c3ccc(C(F)(F)F)cc3)cc2COC(=S)Oc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.39
PPARD Q03181 8/20 0.39
PPARA Q07869 5/20 0.39
PPARG P37231 4/20 0.39
FFAR1 O14842 2/20 0.38
FFAR4 Q5NUL3 1/20 0.38
BCL2L1 Q07817 1/20 0.36
MCL1 Q07820 1/20 0.36
RXRA P19793 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMPD1 P17405 1/20 0.35

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
SCHEMBL3911360 0.86 PPARD (0.42) PTGER4PPARDPPARAPPARGFFAR1
SCHEMBL3905477 0.85 PPARD (0.52) PPARDPPARAPPARG
SCHEMBL3905175 0.84 PPARD (0.43) PTGER4ADAMTS5PPARDPPARAPPARG
SCHEMBL3905979 0.81 PPARD (0.47) PTGER4PPARDPPARAPPARGRXRA
SCHEMBL13790898 0.81 PPARD (0.46) PTGER4PPARDPPARAPPARGRXRA
SCHEMBL3906796 0.79 PPARA (0.47) PTGER4PPARDPPARAPPARGFFAR1
SCHEMBL3904677 0.76 PPARD (0.40) PTGER4PPARDPPARAPPARGFFAR1
SCHEMBL3902951 0.75 PPARD (0.45) PPARDPPARAPPARGFFAR1
SCHEMBL13802335 0.75 PTGER4 (0.34) PTGER4PPARAPPARGFFAR1FFAR4
SCHEMBL3907309 0.74 PPARD (0.49) PTGER4PPARDPPARAPPARGRXRA

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 PTGER4 115/4885ADAMTS5 3243/4885PPARD 214/4885

“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.