Sugi Predict

Sugi Predict / Compounds / SCHEMBL14718481

SCHEMBL14718481

SCHEMBL14718481

CC(C)(NS(=O)(=O)CC(F)(F)F)c1cccc(-c2cc(Oc3ccc(C(F)(F)F)cc3)n(CCO)n2)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 5/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ PDE2A O00408 2/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ MAOA P21397 2/20 0.32
▸ GPR55 Q9Y2T6 1/20 0.32
▸ MET P08581 1/20 0.32
▸ MAPK14 Q16539 2/20 0.32
▸ MMP2 P08253 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ PTGS2 P35354 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
SCHEMBL14717715 0.91 PTGS2 (0.34) SCN9AHDAC1MAOAGPR55MET
SCHEMBL6902321 0.85 TGFBR1 (0.34) SCN9AHDAC1
SCHEMBL14718241 0.85 LMNA (0.34) SCN9A
SCHEMBL14727669 0.85 PTGS2 (0.35) SCN9AHDAC1MAOAGPR55MET
SCHEMBL1658567 0.85 NR1H2 (0.35) SCN9AHDAC1MET
SCHEMBL1659987 0.84 CTSK (0.31) HDAC1MET
SCHEMBL1659951 0.83 SCN9A (0.33) SCN9APTGS2
SCHEMBL14718410 0.83 BRD4 (0.31) SCN9AHDAC1PTGS2
SCHEMBL1661812 0.83 CETP (0.37) SCN9ASMN1; SMN2HDAC1GPR55PTGS2
SCHEMBL14717920 0.83 SCN9A (0.33) SCN9AMAOA

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 1887/4885SMN1; SMN2 3441/4885HDAC1 1277/4885

“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.