SCHEMBL18695248

SCHEMBL18695248

CCOC(=O)c1cc(C(F)(F)F)nn1CCCOC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ HPGD P15428 3/20 0.42
▸ CNR1 P21554 3/20 0.41
▸ CNR2 P34972 3/20 0.41
▸ LMNA P02545 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ IRAK4 Q9NWZ3 2/20 0.37
▸ FLT3 P36888 1/20 0.37

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
SCHEMBL18695261 0.93 TP53 (0.49) TP53L3MBTL1HPGDCNR1CNR2
SCHEMBL18695272 0.85 TP53 (0.45) TP53L3MBTL1HPGDLMNAALDH1A1
SCHEMBL22637387 0.81 HPGD (0.43) TP53L3MBTL1HPGDCNR1CNR2
SCHEMBL13169995 0.80 HPGD (0.47) TP53L3MBTL1HPGDLMNAALDH1A1
SCHEMBL24660176 0.80 ALDH1A1 (0.42) TP53L3MBTL1HPGDLMNAALDH1A1
SCHEMBL3711515 0.79 NPC1 (0.48) TP53HPGDLMNAALDH1A1SMN1; SMN2
SCHEMBL22637243 0.79 HPGD (0.44) TP53L3MBTL1HPGDLMNAALDH1A1
SCHEMBL22637689 0.78 KDM4E (0.52) TP53L3MBTL1HPGDLMNAALDH1A1
SCHEMBL22637870 0.77 TP53 (0.50) TP53L3MBTL1HPGDCNR1CNR2
SCHEMBL31409379 0.76 TP53 (0.42) TP53L3MBTL1HPGDCNR1CNR2

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 4 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
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 4056/4885HPGD 475/4885
US-10100041-B2 Pyrazolyl substituted tetrahydropyranylsulfones TRPV1, CACNA1G, CACNA1B TP53 3998/4885L3MBTL1 4056/4885HPGD 475/4885

“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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