SCHEMBL6658028

SCHEMBL6658028

COc1ccc(C=C(CC(=O)N(C)C)C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.46
MAPT P10636 3/20 0.45
THRB P10828 2/20 0.45
ATM Q13315 1/20 0.44
CYP1A2 P05177 1/20 0.43
LMNA P02545 1/20 0.43
AKR1C3 P42330 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CA1 P00915 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
SCHEMBL6658026 1.00 GSK3B (0.46) GSK3BMAPTTHRBATMCYP1A2
SCHEMBL6654014 0.84 GSK3B (0.51) GSK3BMAPTTHRBATMCYP1A2
SCHEMBL6654010 0.84 GSK3B (0.51) GSK3BMAPTTHRBATMCYP1A2
SCHEMBL1646279 0.83 KDM4E (0.43) MAPTKDM4EALDH1A1HPGDCA1
SCHEMBL8419202 0.80 MAPT (0.50) GSK3BMAPTTHRBATMCYP1A2
SCHEMBL6659979 0.80 MAPT (0.50) GSK3BMAPTTHRBATMCYP1A2
SCHEMBL285248 0.80 MAPT (0.50) GSK3BMAPTTHRBATMCYP1A2
SCHEMBL8865604 0.78 GSK3B (0.50) GSK3BMAPTTHRBATMCYP1A2
SCHEMBL8865614 0.78 GSK3B (0.50) GSK3BMAPTTHRBATMCYP1A2
SCHEMBL9122137 0.77 PTGS1 (0.47) MAPTCYP1A2LMNAKDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040254241-A1 Enzyme inhibitor; cognition activators KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-12-16 US disclosed
EP-1431280-A1 ARYL SULFAMATE DERIVATIVES Kyowa Hakko Kogyo Co., Ltd (JP) 2004-06-23 EP 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-20040254241-A1 Enzyme inhibitor; cognition activators SULT1A1, STS, CYP26A1 GSK3B 2607/4885MAPT 3105/4885THRB 1333/4885

“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.