SCHEMBL5217306

SCHEMBL5217306

O=Cc1ccc(OCC(F)(F)C(F)(F)F)c(OCc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.50
ALDH1A1 P00352 7/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
GSK3B P49841 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
UBE2N P61088 1/20 0.46
ADAMTS5 Q9UNA0 1/20 0.44
MAPT P10636 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HTT P42858 2/20 0.43
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
HPGD P15428 2/20 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
SCHEMBL29446267 0.86 TACR2 (0.62) TACR2ALDH1A1SMN1; SMN2MAOAMAOB
SCHEMBL584489 0.86 TACR2 (0.62) TACR2ALDH1A1SMN1; SMN2MAOAMAOB
SCHEMBL5217355 0.83 TACR2 (0.54) TACR2ALDH1A1SMN1; SMN2MAOAMAOB
SCHEMBL3954569 0.83 RXRA (0.52) TACR2ALDH1A1SMN1; SMN2MAOAMAOB
SCHEMBL5222536 0.82 TACR2 (0.50) TACR2ALDH1A1SMN1; SMN2MAOAMAOB
SCHEMBL5215446 0.81 ALDH1A1 (0.53) TACR2ALDH1A1SMN1; SMN2MAOAMAOB
SCHEMBL5217929 0.81 TACR2 (0.52) TACR2ALDH1A1SMN1; SMN2MAOAMAOB
SCHEMBL17255446 0.81 ALDH1A1 (0.49) TACR2ALDH1A1SMN1; SMN2MAOAMAOB
SCHEMBL662145 0.80 TACR2 (0.75) TACR2ALDH1A1SMN1; SMN2MAOAMAOB
SCHEMBL1609108 0.80 TACR2 (0.75) TACR2ALDH1A1SMN1; SMN2MAOAMAOB

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
EP-1313471-B1 BENZYLIDENE THIAZOLIDINEDIONES AND THEIR USE AS ANTIMYCOTIC AGENTS UCB SA (BE) 2007-04-11 EP disclosed
US-7105554-B2 Benzylidene thiazolidinediones and their use as antimycotic agents OXFORD GLYCOSCIENCES (UK) LTD. (GB) 2006-09-12 US disclosed
US-20040006112-A1 Benzylidene thiazolidinediones and their use as antimycotic agents OXFORD GLYCOSCIENCES (UK) LTD (GB) 2004-01-08 US disclosed
EP-1313471-A1 BENZYLIDENE THIAZOLIDINEDIONES AND THEIR USE AS ANTIMYCOTIC AGENTS Oxford GlycoSciences (UK) Limited (GB) 2003-05-28 EP disclosed
WO-2002017915-A1 BENZYLIDENE THIAZOLIDINEDIONES AND THEIR USE AS ANTIMYCOTIC AGENTS OXFORD GLYCOSCIENCES (UK) LIMITED (GB) 2002-03-07 WO 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-20040006112-A1 Benzylidene thiazolidinediones and their use as antimycotic agents SLC5A2, OXSR1, SLC5A1 TACR2 960/4885ALDH1A1 2757/4885SMN1; SMN2 4243/4885

“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.