SCHEMBL6510547

SCHEMBL6510547

Cc1cnc(S)n1-c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.39
NOTUM Q6P988 2/20 0.39
PIK3CA P42336 2/20 0.38
MTOR P42345 1/20 0.38
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.37
GRM5 P41594 1/20 0.37
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PIK3CD O00329 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL14564232 0.81 MEN1 (0.41) NOTUMTSHRMAPK1KDM4EL3MBTL1
SCHEMBL16713034 0.81 PTGS2 (0.51) PTGS2NOTUMPIK3CAMTORTSHR
SCHEMBL11378909 0.79 ATM (0.43) TSHRKDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL3830999 0.77 PTGS2 (0.52) PTGS2PIK3CAMTORTSHRKDM4E
SCHEMBL23147167 0.76 KDM4E (0.46) PTGS2NOTUMTSHRGRM5KDM4E
SCHEMBL14248834 0.76 TDP1 (0.48) PTGS2NOTUMMAPK1GRM5KDM4E
SCHEMBL14249127 0.74 PTGS2 (0.34) PTGS2TSHRMAPK1GRM5L3MBTL1
SCHEMBL14249281 0.72 POLB (0.47) TSHRMAPK1KDM4EALDH1A1POLB
SCHEMBL12247832 0.71 MEN1 (0.49) PTGS2PIK3CAMTORTSHRMAPK1
SCHEMBL11286754 0.71 NOTUM (0.38) PTGS2NOTUMPIK3CAMTORTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050036993-A1 Immune activation by double-stranded polynucleotides KOHN LEONARD D (US) 2005-02-17 US disclosed
US-20020142974-A1 IMMUNE ACTIVATION BY DOUBLE-STRANDED POLYNUCLEOTIDES SENTRON MEDICAL, INC. 2002-10-03 US disclosed
US-6365616-B1 TRANSPLANT REJECTION SENTRON MEDICAL, INC. 2002-04-02 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 (2 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-20050036993-A1 Immune activation by double-stranded polynucleotides MICA, CD74, HLA-DRB1 PTGS2 1585/4885NOTUM 4474/4885PIK3CA 2821/4885
US-20020142974-A1 IMMUNE ACTIVATION BY DOUBLE-STRANDED POLYNUCLEOTIDES MICA, CD74, HLA-DRB1 PTGS2 1585/4885NOTUM 4474/4885PIK3CA 2821/4885

“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.