SCHEMBL5217355

SCHEMBL5217355

O=Cc1ccc(OCc2ccc(C(F)(F)F)cc2)c(OCc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.54
PTPN1 P18031 3/20 0.50
HTR2C P28335 1/20 0.50
SLC6A4 P31645 1/20 0.50
HTR2B P41595 1/20 0.50
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
RXRA P19793 2/20 0.48
RXRB P28702 2/20 0.48
RXRG P48443 2/20 0.48
GSK3B P49841 1/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.47
POLB P06746 1/20 0.47
UBE2N P61088 1/20 0.47
KMT2A Q03164 1/20 0.47
PTPRC P08575 1/20 0.47

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
SCHEMBL5222536 0.91 TACR2 (0.50) TACR2PTPN1HTR2CSLC6A4HTR2B
SCHEMBL5215446 0.90 ALDH1A1 (0.53) TACR2PTPN1HTR2CSLC6A4HTR2B
SCHEMBL2698610 0.88 ESRRA (0.52) TACR2HTR2CSLC6A4HTR2BALDH1A1
SCHEMBL29446267 0.87 TACR2 (0.62) TACR2ALDH1A1SMN1; SMN2MAOAMAOB
SCHEMBL584489 0.87 TACR2 (0.62) TACR2ALDH1A1SMN1; SMN2MAOAMAOB
SCHEMBL856842 0.87 ALDH1A1 (0.60) TACR2ALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL29558755 0.86 RXRA (0.63) PTPN1HTR2CSLC6A4HTR2BMAOA
SCHEMBL5217929 0.85 TACR2 (0.52) TACR2SLC6A4ALDH1A1SMN1; SMN2MAOA
SCHEMBL856364 0.84 RXRA (0.59) TACR2PTPN1SLC6A4ALDH1A1MAOA
SCHEMBL3954569 0.84 RXRA (0.52) 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 960/4885PTPN1 1590/4885HTR2C 2369/4885

“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.