SCHEMBL3699103

SCHEMBL3699103

CN(Cc1cc(S(=O)(=O)c2ccc(C#N)nc2)n(-c2ccccc2F)n1)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
KCNH2 Q12809 1/20 0.33
EPHX2 P34913 1/20 0.33
S1PR1 P21453 1/20 0.32
SLC16A3 O15427 5/20 0.32
SLC16A1 P53985 5/20 0.32
CXCR3 P49682 1/20 0.32
SLC40A1 Q9NP59 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
LIMK2 P53671 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
GAA P10253 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
AOC3 Q16853 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
SCHEMBL4130428 0.88 SLC16A3 (0.34) HTR2AHTR2CKCNH2SLC16A3SLC16A1
SCHEMBL3704727 0.87 ALDH1A1 (0.43) SLC16A3SLC16A1ATMSMN1; SMN2NPSR1
SCHEMBL3697025 0.85 TAS2R14 (0.40) HTR2AHTR2CKCNH2SLC16A3SLC16A1
SCHEMBL3699035 0.84 CYP3A4 (0.36) SLC16A3SLC16A1ATMSMN1; SMN2NPSR1
Hydrochloric Acid SCHEMBL3704413 0.84 HTR2C (0.35) HTR2AHTR2CS1PR1SLC16A3SLC16A1
Hydrochloric Acid SCHEMBL3704414 0.83 S1PR1 (0.31) HTR2AHTR2CKCNH2S1PR1
Hydrochloric Acid SCHEMBL4123189 0.83 SLC40A1 (0.36) HTR2AHTR2CKCNH2EPHX2S1PR1
SCHEMBL4131198 0.83 NAMPT (0.39) SLC16A3SLC16A1SMN1; SMN2
SCHEMBL4131510 0.83 EPHX2 (0.38) HTR2AHTR2CKCNH2EPHX2S1PR1
SCHEMBL4125819 0.81 PTGS2 (0.33) HTR2AHTR2CKCNH2ATMSMN1; SMN2

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 5 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 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 HTR2A 3643/4885HTR2C 2565/4885KCNH2 3538/4885

“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.