SCHEMBL1039953

SCHEMBL1039953

CS(=O)(=O)c1ccc(Oc2ccc(N)c(O)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.58
MMP14 P50281 1/20 0.58
ENPP2 Q13822 1/20 0.48
HTT P42858 3/20 0.47
ALDH1A1 P00352 2/20 0.47
SOS1 Q07889 4/20 0.44
G6PD P11413 1/20 0.44
IDE P14735 1/20 0.44
NR4A1 P22736 1/20 0.41
PTGS2 P35354 1/20 0.40
FYN P06241 1/20 0.40
MAP4K4 O95819 1/20 0.40
MINK1 Q8N4C8 1/20 0.40
TNIK Q9UKE5 1/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL2747047 0.87 MMP2 (0.60) MMP2MMP14HTTALDH1A1SOS1
SCHEMBL716944 0.82 NR4A1 (0.58) MMP2MMP14ALDH1A1NR4A1SMN1; SMN2
SCHEMBL19809245 0.82 NR4A1 (0.58) MMP2MMP14ALDH1A1NR4A1SMN1; SMN2
SCHEMBL1677258 0.82 MMP2 (0.44) MMP2MMP14ENPP2HTTALDH1A1
SCHEMBL7937506 0.81 ENPP2 (0.75) MMP2MMP14ENPP2HTTALDH1A1
SCHEMBL6932811 0.81 G6PD (0.58) ENPP2ALDH1A1G6PDIDELMNA
SCHEMBL436522 0.80 NR4A1 (0.61) MMP2MMP14ALDH1A1NR4A1SMN1; SMN2
SCHEMBL30040301 0.80 NR4A1 (0.61) MMP2MMP14ALDH1A1NR4A1SMN1; SMN2
SCHEMBL2668134 0.79 ENPP2 (0.47) MMP2MMP14ENPP2HTTALDH1A1
SCHEMBL1277196 0.79 HTT (0.50) MMP2ENPP2HTTSOS1PTGS2

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 4 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-20110098297-A1 FUSED RING COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-28 US disclosed
EP-2276760-A1 FUSED RING COMPOUNDS AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-01-26 EP 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 743/4885ENPP2 2718/4885

“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.