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Sugi Predict / Compounds / SCHEMBL14718217

SCHEMBL14718217

SCHEMBL14718217

O=S(=O)(CC(F)(F)F)NC1(c2cccc(-c3cc(Oc4ccc(C(F)(F)F)cc4)n(CC4CCOCC4)n3)c2)COC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK3 Q9Y572 2/20 0.36
▸ SLC16A3 O15427 1/20 0.33
▸ SLC16A1 P53985 1/20 0.33
▸ EBP Q15125 1/20 0.32
▸ SLC5A1 P13866 1/20 0.32
▸ CRHR1 P34998 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ TRPV4 Q9HBA0 1/20 0.31
▸ PIM1 P11309 1/20 0.30
▸ PIM2 Q9P1W9 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ MMP2 P08253 1/20 0.30
▸ MMP3 P08254 1/20 0.30
▸ MMP9 P14780 1/20 0.30
▸ MMP8 P22894 1/20 0.30
▸ MMP13 P45452 1/20 0.30
▸ MMP14 P50281 1/20 0.30
▸ MAP3K12 Q12852 1/20 0.30
▸ HTR2A P28223 1/20 0.30
▸ HTR2C P28335 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
SCHEMBL1658570 0.90 MMP2 (0.31) MMP2MMP3MMP9MMP8MMP13
SCHEMBL14717871 0.90 CNR2 (0.37) CNR2RAB9A
SCHEMBL14727923 0.89 GRIN1 (0.37) CNR2HTR2AHTR2CSLC6A4
SCHEMBL14727922 0.85 NTRK1 (0.33) TRPV4
SCHEMBL14718030 0.85 LMNA (0.41) TRPV4MMP2MMP9MMP13MMP14
SCHEMBL14727927 0.84 CXCR1 (0.34) TRPV4
SCHEMBL14718270 0.84 RAF1 (0.32) TRPV4MMP2MMP3MMP9MMP8
SCHEMBL14727808 0.84 MMP2 (0.33) MMP2MMP3MMP9MMP8MMP13
SCHEMBL14718043 0.84 GRIN2B (0.32) —
SCHEMBL14718289 0.83 SCN9A (0.34) —

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 RIPK3 907/4885SLC16A3 4876/4885SLC16A1 4872/4885

“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.