Sugi Predict

Sugi Predict / Compounds / SCHEMBL14718522

SCHEMBL14718522

SCHEMBL14718522

CCn1nc(Oc2ccc(C(F)(F)F)cc2)cc1-c1cccc(C(C)(C)NS(=O)(=O)N(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 14/20 0.37
▸ NTRK1 P04629 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ CCNT1 O60563 2/20 0.34
▸ CCNA2 P20248 2/20 0.34
▸ CDK2 P24941 2/20 0.34
▸ CDK9 P50750 2/20 0.34
▸ CDK5 Q00535 2/20 0.34
▸ DYRK1A Q13627 2/20 0.34
▸ CDK5R1 Q15078 2/20 0.34
▸ DYRK2 Q92630 2/20 0.34
▸ DYRK1B Q9Y463 2/20 0.34
▸ DYRK3 O43781 1/20 0.34
▸ KIF11 P52732 1/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ SLC16A3 O15427 1/20 0.33
▸ SLC16A1 P53985 1/20 0.33
▸ MCTS1 Q9ULC4 1/20 0.33

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
SCHEMBL1660820 0.89 SCN9A (0.37) SCN9AIDO1SLC16A3SLC16A1MCTS1
SCHEMBL14717156 0.89 SCN9A (0.37) SCN9ACCNT1CCNA2CDK2CDK9
SCHEMBL14717908 0.86 SCN9A (0.36) SCN9AIDO1SLC16A3SLC16A1MCTS1
SCHEMBL6902712 0.86 SCN9A (0.36) SCN9AIDO1SLC16A3SLC16A1MCTS1
SCHEMBL14717941 0.85 SCN9A (0.35) SCN9AIDO1
SCHEMBL1660915 0.85 SCN9A (0.35) SCN9A
SCHEMBL14718361 0.85 SCN9A (0.35) SCN9ACCNT1CCNA2CDK2CDK9
SCHEMBL14718073 0.84 NTRK1 (0.36) SCN9ANTRK1FLT3KIF11
SCHEMBL14717842 0.83 FAAH (0.38) SCN9A
SCHEMBL1660088 0.83 FAAH (0.37) SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871796-B2 Diaryl ether derivatives as notch sparing gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-10-28 — — US claimed
US-20130053386-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME LLC 2013-02-28 — — US claimed
US-8871796-B2 Diaryl ether derivatives as notch sparing gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-10-28 — — US disclosed
US-8871796-B2 Diaryl ether derivatives as notch sparing gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-10-28 — — US disclosed
US-8871796-B2 Diaryl ether derivatives as notch sparing gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-10-28 — — US disclosed
US-20130053386-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME LLC 2013-02-28 — — US disclosed
US-20130053386-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME LLC 2013-02-28 — — US disclosed
US-20130053386-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME LLC 2013-02-28 — — 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-20130053386-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS BACE1, BACE2, GSAP SCN9A 1887/4885NTRK1 3769/4885FLT3 3237/4885

“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.