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SCHEMBL14718245

SCHEMBL14718245

CCn1nc(-c2cccc(C(C)(C)NS(=O)(=O)C3CC3)c2)cc1Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 2/20 0.37
▸ CTPS1 P17812 1/20 0.36
▸ SCN9A Q15858 4/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ NR1D1 P20393 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ CRHR1 P34998 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ CALCRL Q16602 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ MAOA P21397 2/20 0.32
▸ TGFBR1 P36897 1/20 0.32
▸ ELANE P08246 1/20 0.32
▸ MET P08581 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32

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
SCHEMBL14727669 0.89 PTGS2 (0.35) SCN9APTGS2MAOATGFBR1MET
SCHEMBL14718450 0.87 PTGS2 (0.34) SCN9APTGS2MAOATGFBR1HDAC1
SCHEMBL14717715 0.87 PTGS2 (0.34) S1PR1SCN9APTGS2MAOATGFBR1
SCHEMBL14718071 0.87 FAAH (0.33) SCN9APTGS2CRHR1FAAHCALCRL
SCHEMBL1662444 0.87 FAAH (0.37) SCN9ACRHR1FAAHMAOA
SCHEMBL14717977 0.87 FAAH (0.36) SCN9ACRHR1FAAHMAOA
SCHEMBL14718073 0.86 NTRK1 (0.36) SCN9ANR1D1PTGS2MAOAHDAC1
SCHEMBL1660171 0.86 KMT2A (0.34) SCN9APTGS2CALCRLMAOAMET
SCHEMBL14718127 0.85 ALDH1A1 (0.36) SCN9APTGS2MAOAHDAC1
SCHEMBL14718312 0.85 HDAC1 (0.33) SCN9APTGS2MAOATGFBR1MET

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 S1PR1 1326/4885CTPS1 2156/4885SCN9A 1887/4885

“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.