SCHEMBL3905979

SCHEMBL3905979

COC(=O)C(C)(C)Cc1ccc(OCc2oc(-c3ccc(C(F)(F)F)cc3)cc2C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 9/20 0.47
PPARA Q07869 8/20 0.47
PPARG P37231 4/20 0.47
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PTGER4 P35408 2/20 0.42
RXRA P19793 1/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
MAOB P27338 1/20 0.40
SMPD1 P17405 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ADAMTS4 O75173 1/20 0.39
MMP13 P45452 1/20 0.39

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
SCHEMBL13790898 0.89 PPARD (0.46) PPARDPPARAPPARGPTGER4RXRA
SCHEMBL3911360 0.87 PPARD (0.42) PPARDPPARAPPARGPTGER4RXRA
SCHEMBL3904677 0.86 PPARD (0.40) PPARDPPARAPPARGPTGER4RXRA
SCHEMBL3903290 0.81 PTGER4 (0.40) PPARDPPARAPPARGPTGER4RXRA
SCHEMBL3907309 0.81 PPARD (0.49) PPARDPPARAPPARGPTGER4RXRA
SCHEMBL3902951 0.80 PPARD (0.45) PPARDPPARAPPARGMAOB
SCHEMBL3913440 0.80 PPARD (0.50) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL3906796 0.79 PPARA (0.47) PPARDPPARAPPARGPTGER4RXRA
SCHEMBL3906534 0.79 PPARD (0.41) PPARDPPARAPPARGRXRANR1H2
SCHEMBL3907444 0.75 PTGER4 (0.53) PPARDPPARAPPARGPTGER4RXRA

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 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.