SCHEMBL18695205

SCHEMBL18695205

COCn1nc(C(F)(F)F)cc1C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ LMNA P02545 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.33
▸ POLB P06746 3/20 0.33
▸ PDE4B Q07343 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ GAA P10253 3/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ CCR1 P32246 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HDAC3 O15379 1/20 0.30
▸ HDAC4 P56524 1/20 0.30
▸ HDAC1 Q13547 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
SCHEMBL18695253 0.85 TP53 (0.45) TP53L3MBTL1LMNAKDM4EGAA
SCHEMBL18695186 0.82 L3MBTL1 (0.43) TP53L3MBTL1LMNAKDM4EPOLB
SCHEMBL31532384 0.82 LMNA (0.40) TP53L3MBTL1LMNAKDM4EPOLB
SCHEMBL27783208 0.77 LMNA (0.40) TP53L3MBTL1LMNAKDM4E
SCHEMBL18695250 0.76 PRKDC (0.30) —
SCHEMBL28237878 0.76 PTGS2 (0.34) TP53L3MBTL1LMNAKDM4EPDE4B
SCHEMBL18735218 0.76 — —
SCHEMBL4559955 0.74 CRHR1 (0.41) LMNAPOLBGAA
SCHEMBL18695216 0.73 TP53 (0.42) TP53L3MBTL1LMNAKDM4EPOLB
SCHEMBL2523217 0.73 RAB9A (0.39) LMNAKDM4EPOLBPTGS1PTGS2

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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