SCHEMBL5215514

SCHEMBL5215514

CS(=O)(=O)OCc1cc(C=O)ccc1OCCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
FDPS P14324 1/20 0.41
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
PPARG P37231 1/20 0.40
CYP19A1 P11511 2/20 0.39
AKR1C3 P42330 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 3/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 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
SCHEMBL2926833 0.89 MAOA (0.51) ALDH1A1MAOAMAOBCYP19A1NPC1
SCHEMBL5214421 0.83 MAOA (0.56) ALDH1A1MAOAMAOBPTGESALOX5
SCHEMBL5214784 0.80 AKR1C3 (0.46) MAOAMAOBFDPSPTGESALOX5
SCHEMBL14540286 0.78 MAOA (0.47) ALDH1A1MAOAMAOBCYP19A1NPC1
SCHEMBL4576841 0.78 FDPS (0.57) ALDH1A1MAOAMAOBFDPSAKR1C3
SCHEMBL5213944 0.76 TACR2 (0.54) ALDH1A1MAOAMAOBFDPSAKR1C3
SCHEMBL9078005 0.76 FDPS (0.72) ALDH1A1FDPSNPSR1NPC1RAB9A
SCHEMBL9077155 0.76 TACR2 (0.54) ALDH1A1MAOAMAOBFDPSAKR1C3
SCHEMBL31331562 0.76 FDPS (0.72) ALDH1A1FDPSNPSR1NPC1RAB9A
SCHEMBL29721221 0.76 TACR2 (0.54) ALDH1A1MAOAMAOBFDPSAKR1C3

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 ALDH1A1 2757/4885MAOA 3863/4885MAOB 3132/4885

“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.