SCHEMBL1763045

SCHEMBL1763045

CNCc1cn(S(=O)(=O)c2cccc(C)n2)c(-c2cccnc2F)c1F

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 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
Hydrochloric Acid SCHEMBL2410086 0.99 SLC40A1 (0.35) SLC40A1
SCHEMBL1581093 0.91 GRIA2 (0.30)
Hydrochloric Acid SCHEMBL2415801 0.90
SCHEMBL1833299 0.89 RAPGEF4 (0.31)
SCHEMBL1580925 0.88 L3MBTL1 (0.33) SLC40A1
SCHEMBL1580539 0.88 NFE2L2 (0.36)
SCHEMBL1833552 0.87 PTGS2 (0.31)
SCHEMBL1831979 0.87 TGFBR1 (0.32)
Hydrochloric Acid SCHEMBL2412504 0.87 L3MBTL1 (0.33) SLC40A1
Hydrochloric Acid SCHEMBL2417215 0.87 NFE2L2 (0.36)

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 SLC40A1 3326/4885
US-20130261156-A1 PHARMACEUTICAL COMPOSITION CYP2C19, MLST8, CYP3A43 SLC40A1 3326/4885

“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.