Sugi Predict

Sugi Predict / Compounds / SCHEMBL14717848

SCHEMBL14717848

SCHEMBL14717848

Cn1nc(-c2cccc(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 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 3/20 0.34
▸ MET P08581 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ NTRK1 P04629 1/20 0.32
▸ AGER Q15109 1/20 0.32
▸ CXCR1 P25024 1/20 0.32
▸ MMP2 P08253 3/20 0.32
▸ MMP9 P14780 3/20 0.32
▸ MMP13 P45452 3/20 0.32
▸ MMP14 P50281 3/20 0.32
▸ MMP3 P08254 2/20 0.32
▸ MMP8 P22894 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ CBL P22681 1/20 0.31
▸ CBLB Q13191 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ CHRNB2 P17787 1/20 0.31
▸ CHRNB4 P30926 1/20 0.31
▸ CHRNA3 P32297 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
SCHEMBL1659815 0.90 MMP2 (0.34) PTGER4METKDRMMP2MMP9
SCHEMBL14718289 0.89 SCN9A (0.34) METKDRSCN9AMEN1KMT2A
SCHEMBL1660146 0.87 MMP2 (0.33) METKDRMMP2MMP9MMP13
SCHEMBL14718099 0.86 CXCR1 (0.30) CXCR1
SCHEMBL1659975 0.84 MMP2 (0.35) METKDRMMP2MMP9MMP13
SCHEMBL1658570 0.83 MMP2 (0.31) METKDRCXCR1MMP2MMP9
SCHEMBL14718352 0.82 TGFBR1 (0.30) SCN9A
SCHEMBL14727922 0.82 NTRK1 (0.33) NTRK1AGERCXCR1KMT2APDE2A
SCHEMBL14727927 0.81 CXCR1 (0.34) NTRK1AGERCXCR1SMN1; SMN2
SCHEMBL14718042 0.81 SCN9A (0.37) PTGER4METKDRMMP2MMP9

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 PTGER4 1700/4885MET 3564/4885KDR 3527/4885

“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.