SCHEMBL3699498

SCHEMBL3699498

Cc1ccc(-n2nc(CN(C)C(=O)O)cc2S(=O)(=O)c2ccc(Cl)nc2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP2D6 P10635 1/20 0.33
MAPT P10636 2/20 0.32
THRB P10828 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
TSHR P16473 1/20 0.30
TRPM8 Q7Z2W7 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
SCHEMBL4131270 0.93 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL4130737 0.92 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL3709941 0.91 PTGS2 (0.33) MAPTHCRTR1HCRTR2TSHR
SCHEMBL3704727 0.89 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL3700225 0.88 HTR2C (0.39) ALDH1A1MEN1KMT2ACYP2D6KDM4E
SCHEMBL4131514 0.88 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL3700226 0.88 ALDH1A1 (0.33) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL3812566 0.87 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL3693029 0.86 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL4131139 0.86 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ATDP1L3MBTL1

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 ALDH1A1 1497/4885MEN1 1910/4885KMT2A 4776/4885

“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.