SCHEMBL4886529

SCHEMBL4886529

O=Cc1ccc(/C=C/C(=O)O)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.58
KMT2A Q03164 2/20 0.58
HCAR2 Q8TDS4 5/20 0.50
TBXAS1 P24557 2/20 0.44
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
TNKS O95271 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA4 P22748 3/20 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
SCHEMBL4886530 1.00 MAPK1 (0.58) MAPK1KMT2AHCAR2TBXAS1HDAC3
SCHEMBL8920416 0.91 MAPK1 (0.66) MAPK1KMT2AHCAR2TBXAS1HDAC3
SCHEMBL8920408 0.91 MAPK1 (0.66) MAPK1KMT2AHCAR2TBXAS1HDAC3
SCHEMBL16533088 0.79 ALDH1A1 (0.43) DPP4KDM4EALDH1A1APPPOLB
SCHEMBL2717247 0.78 KMT2A (0.61) MAPK1KMT2AHCAR2TBXAS1HDAC3
SCHEMBL77016 0.78 MAPK1 (0.56) MAPK1KMT2AHCAR2TBXAS1HDAC3
SCHEMBL14275193 0.78 MAPK1 (0.56) MAPK1KMT2AHCAR2TBXAS1HDAC3
SCHEMBL20680796 0.78 MAPK1 (0.56) MAPK1KMT2AHCAR2TBXAS1HDAC3
SCHEMBL20680798 0.78 MAPK1 (0.56) MAPK1KMT2AHCAR2TBXAS1HDAC3
SCHEMBL2717244 0.78 KMT2A (0.61) MAPK1KMT2AHCAR2TBXAS1HDAC3

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-20080015202-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity ASTELLAS PHARMA INC. (JP) 2008-01-17 US disclosed
EP-1851219-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE Miikana Therapeutics, Inc. (US) 2007-11-07 EP disclosed
EP-1791835-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY Astellas Pharma Inc. (JP) 2007-06-06 EP disclosed
WO-2006088949-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2006-08-24 WO disclosed
WO-2006028269-A2 THIAZOLE DERIVATIVES HAVING VAP-1 IHIBITORY ACTIVITY ASTELLAS PHARMA INC. (JP) 2006-03-16 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-20080015202-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity VCAM1, VAPB, VAPA MAPK1 670/4885KMT2A 4199/4885HCAR2 1243/4885

“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.