SCHEMBL966800

SCHEMBL966800

Cc1nn(C)c(-n2ccc3cc(Cl)ccc32)c1CCCN(C(=O)O)S(=O)(=O)NCCOC(C)C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.36
KMT2A Q03164 1/20 0.36
PLA2G4A P47712 7/20 0.34
PHGDH O43175 7/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL965948 0.96 LMNA (0.34) USP2KMT2APLA2G4APHGDHLMNA
SCHEMBL966982 0.92 PHGDH (0.34) USP2KMT2APLA2G4APHGDHLMNA
SCHEMBL964534 0.84 ALDH1A1 (0.37) KMT2ALMNAALDH1A1POLBTP53
SCHEMBL964022 0.84 USP2 (0.35) USP2KMT2A
SCHEMBL962764 0.81 USP2 (0.33) USP2KMT2APOLB
SCHEMBL966069 0.80 OXER1 (0.34) LMNA
SCHEMBL965057 0.79 PTGDR2 (0.34) PHGDHLMNA
SCHEMBL962091 0.78 PHGDH (0.34) KMT2APLA2G4APHGDHLMNA
SCHEMBL967867 0.78 PHGDH (0.35) KMT2APLA2G4APHGDHLMNA
SCHEMBL966868 0.77 SLC6A2 (0.35) PLA2G4APHGDHLMNAHTTSMN1; SMN2

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 3 patents. 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
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG USP2 4289/4885KMT2A 2017/4885PLA2G4A 1094/4885

“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.