SCHEMBL963454

SCHEMBL963454

CCCCNS(=O)(=O)N(CCCc1c(C)nn(C)c1-n1ccc2cc(C(F)(F)F)cnc21)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
PKM P14618 1/20 0.32
TRPM8 Q7Z2W7 2/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
BRAF P15056 1/20 0.31
CRHR1 P34998 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
SCHEMBL962764 0.90 USP2 (0.33) POLBTRPM8
SCHEMBL961670 0.87 POLB (0.34) POLBTRPM8PSEN1PSEN2APH1B
SCHEMBL963320 0.84 TRPM8 (0.33) POLBTRPM8CRHR1
SCHEMBL964638 0.81 MAPT (0.35) POLBPKM
SCHEMBL964022 0.80 USP2 (0.35)
SCHEMBL966246 0.79 POLB (0.33) POLBTRPM8
SCHEMBL964579 0.79 TRPM8 (0.33) POLBTRPM8
SCHEMBL5119940 0.79 NR3C1 (0.34) POLBTRPM8
SCHEMBL964427 0.79 TRPM8 (0.32) TRPM8CRHR1
SCHEMBL967047 0.78 TRPM8 (0.35) POLBTRPM8CRHR1

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 2 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
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 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 (2 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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 POLB 3524/4885PKM 2135/4885TRPM8 3343/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG POLB 1580/4885PKM 1681/4885TRPM8 1651/4885

“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.