SCHEMBL18695186

SCHEMBL18695186

COCCCn1nc(C(F)(F)F)cc1C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ TLR7 Q9NYK1 1/20 0.40
▸ IRAK4 Q9NWZ3 4/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ LMNA P02545 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ HDAC3 O15379 2/20 0.32
▸ HDAC4 P56524 2/20 0.32
▸ HDAC1 Q13547 2/20 0.32
▸ HDAC7 Q8WUI4 2/20 0.32
▸ HDAC2 Q92769 2/20 0.32
▸ HDAC10 Q969S8 2/20 0.32
▸ HDAC11 Q96DB2 2/20 0.32
▸ HDAC8 Q9BY41 2/20 0.32
▸ HDAC6 Q9UBN7 2/20 0.32
▸ HDAC9 Q9UKV0 2/20 0.32
▸ HDAC5 Q9UQL6 2/20 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
SCHEMBL18695253 0.92 TP53 (0.45) L3MBTL1TP53TLR7IRAK4LMNA
SCHEMBL27783208 0.84 LMNA (0.40) L3MBTL1TP53LMNAKDM4E
SCHEMBL18695205 0.82 TP53 (0.41) L3MBTL1TP53LMNAALDH1A1HPGD
SCHEMBL31532384 0.77 LMNA (0.40) L3MBTL1TP53LMNAALDH1A1HPGD
SCHEMBL18695214 0.76 TP53 (0.44) L3MBTL1TP53TLR7IRAK4FLT3
Boric Acid SCHEMBL30691992 0.74 TP53 (0.43) L3MBTL1TP53TLR7IRAK4FLT3
SCHEMBL18695248 0.73 TP53 (0.47) L3MBTL1TP53TLR7IRAK4FLT3
SCHEMBL2523217 0.72 RAB9A (0.39) LMNAALDH1A1HDAC3HDAC4HDAC1
SCHEMBL28237878 0.71 PTGS2 (0.34) L3MBTL1TP53LMNAKDM4EPDE4B
SCHEMBL17177770 0.70 TP53 (0.59) L3MBTL1TP53LMNAALDH1A1HPGD

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 L3MBTL1 4056/4885TP53 3998/4885TLR7 3817/4885
US-10100041-B2 Pyrazolyl substituted tetrahydropyranylsulfones TRPV1, CACNA1G, CACNA1B L3MBTL1 4056/4885TP53 3998/4885TLR7 3817/4885

“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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