SCHEMBL3702686

SCHEMBL3702686

CN(Cc1cc(S(=O)(=O)c2cccc(F)c2)n(-c2cccnc2F)n1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.40
HTR2A P28223 3/20 0.40
HTR2C P28335 1/20 0.40
HTR7 P34969 1/20 0.40
NFE2L2 Q16236 4/20 0.36
CACNA1G O43497 1/20 0.34
CACNA1H O95180 1/20 0.34
KCNH2 Q12809 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
SCHEMBL4126123 0.92 NAMPT (0.35) HTR6
SCHEMBL476470 0.92 HTR6 (0.36) HTR6HTR2AHTR2CHTR7
SCHEMBL18258907 0.91 HTR6 (0.32) HTR6HTR2AHTR2CHTR7
SCHEMBL476388 0.90 PKM (0.38) HTR6
SCHEMBL4125764 0.89 NFE2L2 (0.40) NFE2L2
SCHEMBL476365 0.88 APLNR (0.35)
SCHEMBL3807718 0.88 HTR2C (0.41) HTR6HTR2AHTR2CHTR7
SCHEMBL4120239 0.82 HTR6 (0.40) HTR6HTR2AHTR2CHTR7NFE2L2
Hydrochloric Acid SCHEMBL3703128 0.82 HTR6 (0.46) HTR6HTR2AHTR2CHTR7NFE2L2
SCHEMBL4135832 0.82 SLC16A3 (0.36) HTR6

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 HTR6 3676/4885HTR2A 3643/4885HTR2C 2565/4885

“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.