SCHEMBL1763159

SCHEMBL1763159

CNCc1cc(-c2cccc(C(C)=O)c2F)n(S(=O)(=O)c2cccnc2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 2/20 0.37
KAT5 Q92993 1/20 0.37
POLB P06746 2/20 0.36
NAMPT P43490 3/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 2/20 0.35
EPHX2 P34913 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
KAT6A Q92794 1/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
VNN1 O95497 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33

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
Fumaric Acid SCHEMBL1278703 0.95 KAT8 (0.36) KAT8KAT5POLBNAMPTALDH1A1
Fumaric Acid SCHEMBL1278699 0.95 KAT8 (0.36) KAT8KAT5POLBNAMPTALDH1A1
SCHEMBL1580901 0.86 NAMPT (0.36) KAT8KAT5NAMPTALDH1A1TSHR
SCHEMBL3914406 0.86 ALDH1A1 (0.41) KAT8KAT5POLBNAMPTALDH1A1
SCHEMBL3914402 0.85 NAMPT (0.36) KAT8KAT5NAMPTALDH1A1TSHR
SCHEMBL29815613 0.85 EPHX2 (0.36) KAT8KAT5NAMPTALDH1A1TSHR
SCHEMBL194778 0.85 EPHX2 (0.36) KAT8KAT5NAMPTALDH1A1TSHR
SCHEMBL1580592 0.85 EPHX2 (0.34) KAT8KAT5NAMPTALDH1A1TSHR
SCHEMBL1580634 0.84 NAMPT (0.40) NAMPTALDH1A1EPHX2PRMT6KMT2A
SCHEMBL1580750 0.84 EPHX2 (0.35) KAT8KAT5NAMPTALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9186411-B2 Pharmaceutical composition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-17 US disclosed
US-20130261156-A1 PHARMACEUTICAL COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-03 US disclosed
EP-2564833-A1 Photostabilized pharmaceutical composition Takeda Pharmaceutical Company Limited (JP) 2013-03-06 EP disclosed
US-20110124687-A1 PHARMACEUTICAL COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 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-20110124687-A1 PHARMACEUTICAL COMPOSITION CYP2C19, MLST8, CYP3A43 KAT8 3829/4885KAT5 3251/4885POLB 1446/4885
US-20130261156-A1 PHARMACEUTICAL COMPOSITION CYP2C19, MLST8, CYP3A43 KAT8 3829/4885KAT5 3251/4885POLB 1446/4885

“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.