SCHEMBL14333733

SCHEMBL14333733

CC(C)(C)[S+]([O-])/N=C/c1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 11/20 0.41
▸ KDM1A O60341 1/20 0.32
▸ GPR3 P46089 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ NPFFR1 Q9GZQ6 2/20 0.31
▸ NPFFR2 Q9Y5X5 2/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31

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
SCHEMBL14333737 1.00 KIF11 (0.41) KIF11KDM1AGPR3PTGS2NPFFR1
SCHEMBL14333738 1.00 KIF11 (0.41) KIF11KDM1AGPR3PTGS2NPFFR1
SCHEMBL14333735 1.00 KIF11 (0.41) KIF11KDM1AGPR3PTGS2NPFFR1
SCHEMBL25753392 0.88 NPFFR1 (0.34) KIF11NPFFR1NPFFR2
SCHEMBL25622482 0.88 NPFFR1 (0.34) KIF11NPFFR1NPFFR2
SCHEMBL25422085 0.85 PDE2A (0.33) NPFFR1NPFFR2
SCHEMBL17841380 0.84 NFE2L2 (0.40) GPR3PTGS2
SCHEMBL17841378 0.84 NFE2L2 (0.40) GPR3PTGS2
SCHEMBL17841377 0.84 NFE2L2 (0.40) GPR3PTGS2
SCHEMBL17841381 0.84 NFE2L2 (0.40) GPR3PTGS2

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-9096527-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2015-08-04 — — US disclosed
US-20140171406-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-06-19 — — US disclosed
US-20140171639-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-06-19 — — US disclosed
EP-2723717-A2 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2014-04-30 — — EP disclosed
US-8710043-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2014-04-29 — — US disclosed
US-20130157996-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2013-06-20 — — US disclosed
WO-2012177893-A2 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2012-12-27 — — 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 (3 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-20140171639-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 KIF11 2542/4885KDM1A 3236/4885GPR3 282/4885
US-20140171406-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 KIF11 2542/4885KDM1A 3236/4885GPR3 282/4885
US-20130157996-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 KIF11 2542/4885KDM1A 3236/4885GPR3 282/4885

“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.

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