SCHEMBL18695253

SCHEMBL18695253

COCCn1nc(C(F)(F)F)cc1C=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CNR2 P34972 2/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ ALDH1A1 P00352 5/20 0.34
▸ HPGD P15428 4/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ IRAK4 Q9NWZ3 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33

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
SCHEMBL18695186 0.92 L3MBTL1 (0.43) TP53L3MBTL1TLR7LMNAALDH1A1
SCHEMBL18695205 0.85 TP53 (0.41) TP53L3MBTL1LMNAALDH1A1HPGD
SCHEMBL27783208 0.81 LMNA (0.40) TP53L3MBTL1CNR2CNR1LMNA
SCHEMBL31532384 0.80 LMNA (0.40) TP53L3MBTL1LMNAALDH1A1HPGD
SCHEMBL17177770 0.78 TP53 (0.59) TP53L3MBTL1LMNAALDH1A1HPGD
SCHEMBL18695267 0.77 ALDH1A1 (0.35) CNR2CNR1ALDH1A1MPO
SCHEMBL17196467 0.76 L3MBTL1 (0.44) TP53L3MBTL1CNR2CNR1TLR7
SCHEMBL18811869 0.76 CNR2 (0.50) TP53L3MBTL1CNR2CNR1TLR7
SCHEMBL22637870 0.75 TP53 (0.50) TP53L3MBTL1CNR2CNR1LMNA
SCHEMBL18695215 0.75 L3MBTL1 (0.46) TP53L3MBTL1CNR2CNR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10100041-B2 Pyrazolyl substituted tetrahydropyranylsulfones Grünenthal GmbH (DE) 2018-10-16 — — US disclosed
CN-108473480-A The oxinane sulfone of pyrazolyl substitution 格吕伦塔尔有限公司 2018-08-31 — — CN disclosed
US-20170101398-A1 PYRAZOLYL SUBSTITUTED TETRAHYDROPYRANYLSULFONES Grünenthal GmbH (DE) 2017-04-13 — — US disclosed
US-20170101398-A1 PYRAZOLYL SUBSTITUTED TETRAHYDROPYRANYLSULFONES Grünenthal GmbH (DE) 2017-04-13 — — US disclosed
WO-2017059966-A1 PYRAZOLYL SUBSTITUTED TETRAHYDROPYRANYLSULFONES Grünenthal GmbH (DE) 2017-04-13 — — 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-20170101398-A1 PYRAZOLYL SUBSTITUTED TETRAHYDROPYRANYLSULFONES TRPV1, CACNA1G, CACNA1B TP53 3998/4885L3MBTL1 4056/4885CNR2 163/4885
US-10100041-B2 Pyrazolyl substituted tetrahydropyranylsulfones TRPV1, CACNA1G, CACNA1B TP53 3998/4885L3MBTL1 4056/4885CNR2 163/4885

“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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