SCHEMBL18695216

SCHEMBL18695216

COCn1nc(C(F)(F)F)cc1CO

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ LMNA P02545 1/20 0.36
▸ PTGS2 P35354 4/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ POLB P06746 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PDE4B Q07343 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ MPO P05164 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ CCR1 P32246 1/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL18695215 0.84 L3MBTL1 (0.46) TP53L3MBTL1LMNAKDM4EPDE4B
SCHEMBL18695214 0.82 TP53 (0.44) TP53L3MBTL1LMNAKDM4EPDE4B
SCHEMBL13184397 0.81 MPO (0.43) TP53L3MBTL1LMNAKDM4EPOLB
SCHEMBL12198285 0.74 KMT2A (0.39) LMNAPTGS2KDM4EPOLBPTGS1
SCHEMBL22067596 0.74 TP53 (0.40) TP53L3MBTL1LMNAPTGS2KDM4E
SCHEMBL18695205 0.73 TP53 (0.41) TP53L3MBTL1LMNAPTGS2KDM4E
SCHEMBL33526600 0.73 LMNA (0.50) TP53L3MBTL1LMNAKDM4EPOLB
SCHEMBL17066901 0.72 MPO (0.42) TP53L3MBTL1LMNAPTGS2KDM4E
SCHEMBL18695272 0.71 TP53 (0.45) TP53L3MBTL1LMNAKDM4EPOLB
SCHEMBL17196467 0.70 L3MBTL1 (0.44) TP53L3MBTL1LMNAPTGS2KDM4E

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 3 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
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 4056/4885LMNA 2317/4885
US-10100041-B2 Pyrazolyl substituted tetrahydropyranylsulfones TRPV1, CACNA1G, CACNA1B TP53 3998/4885L3MBTL1 4056/4885LMNA 2317/4885

“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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