SCHEMBL18695215

SCHEMBL18695215

COCCn1nc(C(F)(F)F)cc1CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ IRAK4 Q9NWZ3 4/20 0.38
▸ CNR2 P34972 2/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ LMNA P02545 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ HPGD P15428 3/20 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
▸ NPSR1 Q6W5P4 1/20 0.34
▸ PDE4B Q07343 2/20 0.33
▸ MPO P05164 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 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
SCHEMBL18695214 0.91 TP53 (0.44) L3MBTL1TP53IRAK4CNR2CNR1
SCHEMBL17196467 0.86 L3MBTL1 (0.44) L3MBTL1TP53IRAK4CNR2CNR1
SCHEMBL18695216 0.84 TP53 (0.42) L3MBTL1TP53LMNAALDH1A1CYP1A2
SCHEMBL21089562 0.84 L3MBTL1 (0.42) L3MBTL1TP53IRAK4CNR2CNR1
SCHEMBL17177770 0.80 TP53 (0.59) L3MBTL1TP53LMNAALDH1A1HPGD
SCHEMBL13184397 0.79 MPO (0.43) L3MBTL1TP53LMNACYP1A2GAA
SCHEMBL18811869 0.77 CNR2 (0.50) L3MBTL1TP53IRAK4CNR2CNR1
SCHEMBL22637870 0.77 TP53 (0.50) L3MBTL1TP53IRAK4CNR2CNR1
SCHEMBL12198285 0.75 KMT2A (0.39) LMNAALDH1A1PDE4BKDM4EHDAC3
SCHEMBL18695253 0.75 TP53 (0.45) L3MBTL1TP53IRAK4CNR2CNR1

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 L3MBTL1 4056/4885TP53 3998/4885IRAK4 3331/4885
US-10100041-B2 Pyrazolyl substituted tetrahydropyranylsulfones TRPV1, CACNA1G, CACNA1B L3MBTL1 4056/4885TP53 3998/4885IRAK4 3331/4885

“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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