SCHEMBL2896124

SCHEMBL2896124

CS(=O)(=O)c1ccc(C(CC2CCCO2)c2ccc(-c3ccccn3)[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 3/20 0.41
HTT P42858 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 3/20 0.36
HIF1A Q16665 1/20 0.36
ALDH1A1 P00352 2/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PTGS2 P35354 1/20 0.35
POLB P06746 1/20 0.35
CBFB Q13951 1/20 0.35
GCK P35557 1/20 0.35
HPGD P15428 1/20 0.34
MEN1 O00255 2/20 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
SCHEMBL2901860 0.86 GCK (0.47) PTGS2CBFBGCK
SCHEMBL2902387 0.85 GCK (0.44) PTGS2CBFBGCK
SCHEMBL2892377 0.84 GCK (0.40) PTGS2CBFBGCK
SCHEMBL1959386 0.79 GCK (0.56) TNK2LMNAGCK
SCHEMBL2899592 0.77 GCK (0.37) HTTLMNAKDM4EALDH1A1GCK
SCHEMBL2901940 0.77 GCK (0.44) GCK
SCHEMBL1963296 0.76 GCK (0.58) TNK2GCK
SCHEMBL1963032 0.76 GCK (0.58) TNK2GCK
SCHEMBL1959994 0.76 GCK (0.58) TNK2GCK
SCHEMBL2897151 0.74 GCK (0.39) HIF1APTGS2CBFBGCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318746-B2 Nitrogen-containing five-membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-8318746-B2 Nitrogen-containing five-membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-8318746-B2 Nitrogen-containing five-membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-20100130446-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAS COMPANY LIMITED (JP) 2010-05-27 US disclosed
US-20100130446-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAS COMPANY LIMITED (JP) 2010-05-27 US disclosed
US-20100130446-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAS COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-2149550-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-02-03 EP 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-20100130446-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND GCKR, GCK, SLC5A1 TNK2 935/4885HTT 1547/4885SMN1; SMN2 3957/4885

“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.