SCHEMBL4124683

SCHEMBL4124683

Cc1cnn(C2=C(C(=O)O)C=CCC2=S(=O)=O)c1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALKBH1 Q13686 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP46A1 Q9Y6A2 1/20 0.31
TDO2 P48775 1/20 0.31
KAT6A Q92794 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL9089956 0.79
SCHEMBL3929986 0.73 IP6K1 (0.33) KDM4EALDH1A1
SCHEMBL985387 0.68
SCHEMBL3142401 0.64 NOTUM (0.30)
SCHEMBL4118531 0.63 ALDH1A1 (0.35) ALDH1A1
SCHEMBL7980049 0.62 PYGM (0.33)
SCHEMBL6624522 0.61 HPGDS (0.57) KDM4EMAPTALDH1A1
SCHEMBL16277507 0.61 CSNK2A1 (0.46) KDM4EMAPTMAPK1NPSR1L3MBTL1
SCHEMBL15147854 0.61
SCHEMBL9282294 0.60

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-8188139-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 US 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-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES CYP2B6, CYP2D6, CYP1A2 ALKBH1 1491/4885KDM4E 1959/4885MAPT 2798/4885

“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.