SCHEMBL5217546

SCHEMBL5217546

C[C@@H](CS(=O)(=O)O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.48
PTGES2 Q9H7Z7 1/20 0.47
TRPA1 O75762 4/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GMNN O75496 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
PMP22 Q01453 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GRIA4 P48058 1/20 0.45
AOC3 Q16853 2/20 0.44
SRC P12931 1/20 0.44
RIPK1 Q13546 1/20 0.42
CYP2C19 P33261 1/20 0.41

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
SCHEMBL5217555 1.00 TAAR1 (0.48) TAAR1PTGES2TRPA1ALDH1A1KDM4E
SCHEMBL5217923 1.00 TAAR1 (0.48) TAAR1PTGES2TRPA1ALDH1A1KDM4E
SCHEMBL17086665 0.81 TAAR1 (0.50) TAAR1PTGES2TRPA1ALDH1A1KDM4E
SCHEMBL6718127 0.81 TAAR1 (0.50) TAAR1PTGES2TRPA1ALDH1A1KDM4E
SCHEMBL17258982 0.81 PTGES2 (0.57) TAAR1PTGES2TRPA1GRIA4AOC3
SCHEMBL17086715 0.81 TAAR1 (0.50) TAAR1PTGES2TRPA1ALDH1A1KDM4E
SCHEMBL2935549 0.80 SRC (0.48) TAAR1ALDH1A1KDM4EGMNNLMNA
SCHEMBL18317133 0.80 GABBR2 (0.59) PTGES2ALDH1A1POLBMAPTKMT2A
SCHEMBL18489359 0.80 CYP1A2 (0.40)
SCHEMBL6725042 0.80 RIPK1 (0.48) TAAR1TRPA1ALDH1A1KDM4EGMNN

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 TAAR1 525/4885PTGES2 4026/4885TRPA1 3587/4885

“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.