SCHEMBL1677227

SCHEMBL1677227

CS(=O)(=O)c1ccc(Oc2ccc(N)c(O)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.43
MMP14 P50281 1/20 0.43
PIK3CD O00329 1/20 0.37
PIP5K1C O60331 1/20 0.37
PIK3CB P42338 1/20 0.37
PI4KA P42356 1/20 0.37
PIK3CG P48736 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
NR4A1 P22736 1/20 0.36
FYN P06241 2/20 0.36
MAP4K4 O95819 1/20 0.36
MINK1 Q8N4C8 1/20 0.36
TNIK Q9UKE5 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35

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
SCHEMBL564466 0.84 PIK3CD (0.38) PIK3CDPIP5K1CPIK3CBPI4KAPIK3CG
SCHEMBL563560 0.82 PIK3CD (0.36) PIK3CDPIP5K1CPIK3CBPI4KAPIK3CG
SCHEMBL564713 0.79 ALDH1A1 (0.47) PIK3CDPIP5K1CPIK3CBPI4KAPIK3CG
SCHEMBL1677309 0.78 CYP19A1 (0.41) MAP4K4CA12CA1CA2CA4
SCHEMBL12734108 0.78 MAP4K4 (0.42) MMP2MMP14NR4A1MAP4K4CDK8
SCHEMBL1039953 0.78 MMP2 (0.58) MMP2MMP14NR4A1FYNMAP4K4
SCHEMBL1677224 0.76 GPR119 (0.33) PIK3CDPIP5K1CPIK3CBPI4KAPIK3CG
SCHEMBL1677258 0.76 MMP2 (0.44) MMP2MMP14FYNMAP4K4MINK1
SCHEMBL436522 0.74 NR4A1 (0.61) MMP2MMP14NR4A1MAPTTSHR
SCHEMBL30040301 0.74 NR4A1 (0.61) MMP2MMP14NR4A1MAPTTSHR

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
US-8673942-B2 Fused ring compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-18 US disclosed
US-8673942-B2 Fused ring compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-18 US disclosed
US-20110098297-A1 FUSED RING COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-28 US disclosed
US-20110098297-A1 FUSED RING COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-28 US disclosed
WO-2009125873-A1 FUSED RING COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-15 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-20110098297-A1 FUSED RING COMPOUNDS AND USE THEREOF GCKR, GPR119, SLC5A1 MMP2 172/4885MMP14 743/4885PIK3CD 983/4885

“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.