SCHEMBL17315783

SCHEMBL17315783

O=S(=O)(OCC(F)(F)c1ncc(Cl)cc1Cl)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GRIN2B Q13224 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TRPM8 Q7Z2W7 2/20 0.32
▸ RORC P51449 1/20 0.32
▸ CYP2C9 P11712 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ APEX1 P27695 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 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
SCHEMBL17315780 0.87 GRIN2B (0.34) LMNAL3MBTL1GRIN2BPTGS1PTGS2
SCHEMBL16665045 0.86 MEN1 (0.32) KMT2AHTTMEN1
SCHEMBL17315769 0.75 GRIN2B (0.32) GRIN2BCA2
SCHEMBL17583189 0.75 CA2 (0.40) L3MBTL1HTTCA2
SCHEMBL17315775 0.73 HTT (0.37) LMNAL3MBTL1GRIN2BPTGS2KMT2A
SCHEMBL17315776 0.73 GRIN2B (0.34) GRIN2BPTGS2CA2
SCHEMBL14921130 0.72 LMNA (0.39) LMNAL3MBTL1GRIN2BHTTTRPM8
SCHEMBL17325379 0.72 GRIN2B (0.38) LMNAL3MBTL1GRIN2BHTTCYP2C9
SCHEMBL14920915 0.72 GRIN2B (0.40) LMNAL3MBTL1GRIN2BHTTCYP2C9
SCHEMBL17583126 0.69 CA2 (0.38) L3MBTL1GRIN2BPTGS1PTGS2KMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3152213-B1 DIFLUOROETHYLPYRIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS CAYMAN LTD (KY) 2018-10-31 — — EP disclosed
US-10030026-B2 Difluoroethylpyridine derivatives as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2018-07-24 — — US disclosed
US-10030026-B2 Difluoroethylpyridine derivatives as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2018-07-24 — — US disclosed
US-10030026-B2 Difluoroethylpyridine derivatives as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2018-07-24 — — US disclosed
US-20170101412-A1 DIFLUOROETHYLPYRIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2017-04-13 — — US disclosed
US-20170101412-A1 DIFLUOROETHYLPYRIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2017-04-13 — — US disclosed
US-20170101412-A1 DIFLUOROETHYLPYRIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2017-04-13 — — US disclosed
EP-3152213-A1 DIFLUOROETHYLPYRIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS Rugen Holdings (Cayman) Limited (KY) 2017-04-12 — — EP disclosed
WO-2015187845-A1 DIFLUOROETHYLPYRIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2015-12-10 — — WO disclosed
WO-2015187845-A1 DIFLUOROETHYLPYRIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2015-12-10 — — WO 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 (2 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-10030026-B2 Difluoroethylpyridine derivatives as NR2B NMDA receptor antagonists GRIN1, GRIN2A, GRIN2B LMNA 4634/4885L3MBTL1 3260/4885GRIN2B 3/4885
US-20170101412-A1 DIFLUOROETHYLPYRIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS GRIN1, GRIN2A, GRIN2B LMNA 4634/4885L3MBTL1 3260/4885GRIN2B 3/4885

“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.

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