Sugi Predict

Sugi Predict / Compounds / SCHEMBL14718158

SCHEMBL14718158

SCHEMBL14718158

CCn1nc(-c2cccc(C3(NS(=O)(=O)NCC(C)C)CC3)c2)cc1Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KDR P35968 2/20 0.33
▸ MET P08581 1/20 0.33
▸ MMP2 P08253 2/20 0.33
▸ MMP3 P08254 2/20 0.33
▸ MMP9 P14780 2/20 0.33
▸ MMP8 P22894 2/20 0.33
▸ MMP13 P45452 2/20 0.33
▸ MMP14 P50281 2/20 0.33
▸ SCN9A Q15858 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ BRAF P15056 1/20 0.30
▸ MAPK14 Q16539 1/20 0.30
▸ TNNI3K Q59H18 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
SCHEMBL14717651 0.91 MET (0.33) KDRMETMMP2MMP3MMP9
SCHEMBL14718204 0.91 ALDH1A1 (0.34) KDRMETMMP2MMP3MMP9
SCHEMBL1660044 0.90 MMP2 (0.35) KDRMETMMP2MMP3MMP9
SCHEMBL1659975 0.88 MMP2 (0.35) KDRMETMMP2MMP3MMP9
SCHEMBL1659815 0.87 MMP2 (0.34) MEN1KMT2AKDRMETMMP2
SCHEMBL1658919 0.87 KDR (0.36) KDRMETMMP2MMP3MMP9
SCHEMBL14717678 0.85 FAAH (0.36) MAPTKDRMETMMP2MMP3
SCHEMBL14727862 0.85 MMP2 (0.35) MEN1KMT2AKDRMETMMP2
SCHEMBL1660146 0.84 MMP2 (0.33) KDRMETMMP2MMP3MMP9
SCHEMBL14717813 0.84 MET (0.31) KDRMETMMP2MMP3MMP9

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 MEN1 2290/4885POLB 3940/4885MAPT 191/4885

“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.