SCHEMBL962764

SCHEMBL962764

Cc1nn(C)c(-n2ccc3cc(C(F)(F)F)cnc32)c1CCCN(C(=O)O)S(=O)(=O)NCCOC(C)C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.33
KMT2A Q03164 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
TRPM8 Q7Z2W7 2/20 0.31
POLB P06746 2/20 0.31
NR3C1 P04150 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
SCHEMBL964022 0.91 USP2 (0.35) USP2KMT2AIRAK4
SCHEMBL963454 0.90 POLB (0.33) TRPM8POLB
Potassium Ion SCHEMBL967016 0.83 IRAK4 (0.32) USP2KMT2AIRAK4POLB
SCHEMBL966800 0.81 USP2 (0.36) USP2KMT2APOLB
SCHEMBL961670 0.80 POLB (0.34) TRPM8POLB
SCHEMBL966246 0.80 POLB (0.33) TRPM8POLB
SCHEMBL964579 0.80 TRPM8 (0.33) TRPM8POLB
SCHEMBL963320 0.79 TRPM8 (0.33) TRPM8POLB
SCHEMBL965948 0.77 LMNA (0.34) USP2KMT2A
SCHEMBL5119940 0.77 NR3C1 (0.34) TRPM8POLBNR3C1

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 USP2 4289/4885KMT2A 2017/4885IRAK4 873/4885

“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.