SCHEMBL3650985

SCHEMBL3650985

CNCc1cc(-c2cccnc2F)c(S(=O)(=O)c2cccnc2)s1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SLC40A1 Q9NP59 2/20 0.38
FEN1 P39748 1/20 0.37
MAPT P10636 1/20 0.36
CYP17A1 P05093 1/20 0.35
KMT2A Q03164 3/20 0.35
TSHR P16473 1/20 0.35
CKS1B P61024 3/20 0.35
SKP2 Q13309 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.34
PIP4K2A P48426 1/20 0.34
PIP4K2C Q8TBX8 1/20 0.34
MEN1 O00255 1/20 0.34
GLO1 Q04760 1/20 0.34

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 SCHEMBL4130276 0.93 CYP2A6 (0.34) CYP2A6CYP2D6CYP2C9CYP2C19SLC40A1
Fumaric Acid SCHEMBL4130268 0.93 CYP2A6 (0.34) CYP2A6CYP2D6CYP2C9CYP2C19SLC40A1
SCHEMBL16333389 0.89 CYP2A6 (0.41) CYP2A6CYP2D6CYP2C9CYP2C19PIP4K2A
Hydrochloric Acid SCHEMBL4137846 0.89 CYP2A6 (0.41) CYP2A6CYP2C9SLC40A1FEN1KMT2A
Hydrochloric Acid SCHEMBL4123637 0.88 CYP2A6 (0.40) CYP2A6CYP2D6CYP2C9CYP2C19SLC40A1
Hydrochloric Acid SCHEMBL3656151 0.87 HTR6 (0.43) CYP2A6
Hydrochloric Acid SCHEMBL4138953 0.86 CYP2C19 (0.40) CYP2A6CYP2C19MAPTKMT2AL3MBTL1
Hydrochloric Acid SCHEMBL4135898 0.86 PIP4K2A (0.39) CYP2A6PIP4K2APIP4K2C
SCHEMBL3652974 0.84 CYP2A6 (0.39) CYP2A6CYP2D6CYP2C9CYP2C19SLC40A1
Fumaric Acid SCHEMBL3652346 0.84 TBXAS1 (0.34) SLC40A1FEN1CKS1BSKP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP claimed
EP-2190822-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-06-02 EP claimed
WO-2009041705-A9 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2009-08-13 WO claimed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US claimed
WO-2009041705-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 WO claimed
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
EP-2190822-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-06-02 EP disclosed
WO-2009041705-A9 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2009-08-13 WO disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2009041705-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 WO 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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 CYP2A6 443/4885CYP2D6 1196/4885CYP2C9 689/4885

“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.