Sugi Predict

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SCHEMBL14718323

SCHEMBL14718323

CCn1nc(-c2cncc(C3(NS(=O)(=O)CC(F)(F)F)CC3)c2)cc1Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.34
▸ MMP2 P08253 2/20 0.34
▸ MMP3 P08254 2/20 0.34
▸ MMP9 P14780 2/20 0.34
▸ MMP8 P22894 2/20 0.34
▸ MMP13 P45452 2/20 0.34
▸ MMP14 P50281 2/20 0.34
▸ SCN9A Q15858 2/20 0.33
▸ PTGS2 P35354 1/20 0.32
▸ S1PR1 P21453 1/20 0.30
▸ CYP11B1 P15538 1/20 0.30
▸ CYP11B2 P19099 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
SCHEMBL1659901 0.93 TNF (0.33) TNFMMP2MMP3MMP9MMP8
SCHEMBL1659815 0.89 MMP2 (0.34) MMP2MMP3MMP9MMP8MMP13
SCHEMBL14727901 0.87 TNF (0.34) TNFMMP2MMP3MMP9MMP8
SCHEMBL1660146 0.86 MMP2 (0.33) MMP2MMP3MMP9MMP8MMP13
SCHEMBL14718352 0.84 TGFBR1 (0.30) SCN9A
SCHEMBL1659975 0.83 MMP2 (0.35) MMP2MMP3MMP9MMP8MMP13
SCHEMBL1658570 0.83 MMP2 (0.31) MMP2MMP3MMP9MMP8MMP13
SCHEMBL14717748 0.82 TNF (0.32) TNFMMP2MMP3MMP9MMP8
SCHEMBL14718289 0.82 SCN9A (0.34) SCN9A
SCHEMBL14717194 0.81 MMP2 (0.34) MMP2MMP3MMP9MMP8MMP13

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 TNF 4491/4885MMP2 3936/4885MMP3 3281/4885

“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.