SCHEMBL6540444

SCHEMBL6540444

COc1ccc(-c2oc(=S)[nH]c2-c2ccc(OC)nc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
MMP14 P50281 1/20 0.41
ATM Q13315 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYP2A6 P11509 2/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
FGFR3 P22607 1/20 0.37
RIOK2 Q9BVS4 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL6540192 0.85 MEN1 (0.47) KMT2AMEN1SMN1; SMN2KDM4ERAB9A
SCHEMBL1422493 0.73 MKNK1 (0.59) RCE1CYP2A6PDGFRBPDGFRACA1
SCHEMBL6208383 0.70 RCE1 (0.46) RCE1KMT2AMEN1MMP14ATM
SCHEMBL6538918 0.68 RCE1 (0.44) RCE1KMT2AMEN1MMP14ATM
SCHEMBL31174412 0.67 CYP2A6 (0.68) CYP2A6PDGFRBPDGFRACA1CA2
SCHEMBL3754419 0.67 CYP2A6 (0.68) CYP2A6PDGFRBPDGFRACA1CA2
SCHEMBL6207277 0.67 GSK3B (0.45) RCE1KMT2AMEN1TAAR1KDM4E
SCHEMBL6230344 0.67 RCE1 (0.43) RCE1KMT2AMEN1MMP14ATM
SCHEMBL6539358 0.67 RCE1 (0.46) RCE1KMT2AMEN1MMP14ATM
SCHEMBL6207843 0.67 MEN1 (0.45) RCE1KMT2AMEN1MMP14ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157891-A1 Inhibitor of cox FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 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-20040157891-A1 Inhibitor of cox PTGS1, PTGS2, PTGES2 RCE1 337/4885KMT2A 3081/4885MEN1 4420/4885

“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.