SCHEMBL1677258

SCHEMBL1677258

CS(=O)(=O)c1ccc(Oc2ccc(N)c(O)c2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.44
MMP14 P50281 2/20 0.44
KCNH2 Q12809 1/20 0.43
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HTT P42858 1/20 0.41
FYN P06241 2/20 0.40
MAP4K4 O95819 1/20 0.40
MINK1 Q8N4C8 1/20 0.40
TNIK Q9UKE5 1/20 0.40
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
PTGS1 P23219 4/20 0.39
PTGS2 P35354 4/20 0.39
MEN1 O00255 1/20 0.38
BRCA1 P38398 1/20 0.38
HBB P68871 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALOX5AP P20292 1/20 0.38

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
SCHEMBL1039953 0.82 MMP2 (0.58) MMP2MMP14ALDH1A1HTTFYN
SCHEMBL1677263 0.80 ALDH1A1 (0.43) KCNH2ALDH1A1KDM4EPOLBPTGS1
SCHEMBL12734153 0.79 KDM4E (0.47) MMP2MMP14ALDH1A1NPSR1MAP4K4
SCHEMBL1677111 0.79 CA12 (0.42) MMP2MMP14ALDH1A1NPSR1HTT
SCHEMBL12595069 0.77 HSPB1 (0.60) ALDH1A1NPSR1HTTMEN1KMT2A
SCHEMBL10834026 0.77 KDM4E (0.48) KCNH2ALDH1A1NPSR1HTTKDM4E
SCHEMBL1677227 0.76 MMP2 (0.43) MMP2MMP14FYNMAP4K4MINK1
SCHEMBL10833035 0.75 PTGS2 (0.51) MMP2MMP14ALDH1A1HTTKDM4E
SCHEMBL10833881 0.75 ADAMTS4 (0.53) MMP2MMP14ALDH1A1NPSR1HTT
SCHEMBL19435036 0.75 KDM4E (0.59) MMP2MMP14KCNH2ALDH1A1KDM4E

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 743/4885KCNH2 2388/4885

“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.