SCHEMBL966046

SCHEMBL966046

CCCCN(C(=O)O)S(=O)(=O)CCc1c(C)nn(C)c1-n1ccc2cccnc21

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
MTNR1A P48039 1/20 0.32
BRAF P15056 2/20 0.32
ENPP3 O14638 1/20 0.32
SLC22A12 Q96S37 2/20 0.32
ENPP1 P22413 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP2C19 P33261 2/20 0.30
RAPGEF4 Q8WZA2 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL963813 0.87 KDM4E (0.33)
SCHEMBL963357 0.86 NR3C1 (0.33)
SCHEMBL961670 0.84 POLB (0.34)
SCHEMBL963422 0.83 APLNR (0.30)
SCHEMBL964567 0.81 PTGDR2 (0.35)
SCHEMBL964724 0.81 KMO (0.33)
SCHEMBL965057 0.81 PTGDR2 (0.34)
SCHEMBL962516 0.81 IRAK4 (0.32)
SCHEMBL5119217 0.80 ENPP3 (0.39) MTNR1ABRAFENPP3SLC22A12ENPP1
SCHEMBL967854 0.80 ENPP3 (0.35) MTNR1ABRAFENPP3SLC22A12ENPP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US 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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG TSHR 237/4885MTNR1A 69/4885BRAF 2850/4885

“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.