SCHEMBL2354820

SCHEMBL2354820

OCc1cccc(Oc2nccs2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.49
TLR2 O60603 1/20 0.49
NR1H2 P55055 3/20 0.41
NR1H3 Q13133 3/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
P2RX3 P56373 1/20 0.39
PRKCI P41743 1/20 0.38
RAF1 P04049 1/20 0.38
MAP2K1 Q02750 1/20 0.38
ALOX5 P09917 1/20 0.38
F10 P00742 1/20 0.38
CTSA P10619 3/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
KDR P35968 1/20 0.36
SLC5A2 P31639 1/20 0.36

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
SCHEMBL8497646 0.81 LTA4H (0.47) TLR4TLR2P2RX3HCRTR1HCRTR2
SCHEMBL8052741 0.80 TLR4 (0.52) TLR4TLR2P2RX3RAF1KDR
SCHEMBL8557561 0.76 TLR4 (0.52) TLR4TLR2P2RX3
SCHEMBL4686579 0.76 TLR4 (0.52) TLR4TLR2TSHRSMN1; SMN2P2RX3
SCHEMBL5431733 0.76 TLR4 (0.52) TLR4TLR2SMN1; SMN2CTSAHCRTR1
SCHEMBL7355562 0.76 TLR4 (0.52) TLR4TLR2SMN1; SMN2P2RX3RAF1
SCHEMBL12100240 0.76 TLR4 (0.52) TLR4TLR2SMN1; SMN2P2RX3RAF1
SCHEMBL9046569 0.76 TLR4 (0.44) TLR4TLR2P2RX3ALOX5
SCHEMBL3288907 0.76 MEN1 (0.53) TLR4TLR2NR1H2NR1H3GPBAR1
SCHEMBL2110045 0.75 TLR4 (0.49) TLR4TLR2TSHRSMN1; SMN2HCRTR1

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-8008525-B2 For the 14273 peroxisome proliferator activated receptor; antidiabetic agents, hyperlipidemia, obesity or anorexia; receptor binding assay; drug screening kits TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-30 US disclosed
US-8008525-B2 For the 14273 peroxisome proliferator activated receptor; antidiabetic agents, hyperlipidemia, obesity or anorexia; receptor binding assay; drug screening kits TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-30 US disclosed
US-8008525-B2 For the 14273 peroxisome proliferator activated receptor; antidiabetic agents, hyperlipidemia, obesity or anorexia; receptor binding assay; drug screening kits TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-30 US disclosed
US-20080167378-A1 Receptor Function Regulation Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-10 US disclosed
US-20080167378-A1 Receptor Function Regulation Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-10 US disclosed
US-20080167378-A1 Receptor Function Regulation Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-10 US disclosed
EP-1688138-A1 RECEPTOR FUNCTION REGULATING AGENT Takeda Pharmaceutical Company Limited (JP) 2006-08-09 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-20080167378-A1 Receptor Function Regulation Agent GPR119, INSR, GPR88 TLR4 700/4885TLR2 1020/4885NR1H2 75/4885

“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.