SCHEMBL6504717

SCHEMBL6504717

CN(C(=O)CC1SC(NC2CC3C=CC2C3)=NC1=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
PKM P14618 1/20 0.32
CACNA1G O43497 1/20 0.31
CACNA1H O95180 1/20 0.31
CACNA1I Q9P0X4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.31
BLM P54132 1/20 0.30
KDM1A O60341 1/20 0.30
MAOB P27338 1/20 0.30
EPHX2 P34913 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
SCHEMBL6498862 0.91 PKM (0.32) PKMPOLB
SCHEMBL6501582 0.90 ALDH1A1 (0.35) L3MBTL1POLBEPHX2
SCHEMBL6501293 0.89 MEN1 (0.32) EPHX2
SCHEMBL6501986 0.87 HTT (0.36) EPHX2
SCHEMBL6506064 0.86 TSHR (0.41)
SCHEMBL6504837 0.86 MEN1 (0.32)
SCHEMBL6427691 0.86 ALDH1A1 (0.33) PKMPOLBEPHX2
SCHEMBL6501771 0.79 CTPS1 (0.38) TDP1L3MBTL1
SCHEMBL6427407 0.79 ALDH1A1 (0.32)
SCHEMBL6426010 0.78 MAPT (0.30)

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-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 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-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 MMP2 723/4885MMP9 859/4885MMP8 1460/4885

“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.