SCHEMBL18733356

SCHEMBL18733356

CCOn1nc(C(F)(F)F)cc1C=O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.33
▸ PTGS1 P23219 2/20 0.32
▸ PTGS2 P35354 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ ALPI P09923 3/20 0.31
▸ ALPL P05186 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PDE4B Q07343 1/20 0.30
▸ RAD51 Q06609 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
SCHEMBL28237878 0.82 PTGS2 (0.34) LMNAPTGS1PTGS2TP53L3MBTL1
SCHEMBL18718169 0.77 GAA (0.32) ALDH1A1L3MBTL1KDM4E
SCHEMBL31532384 0.76 LMNA (0.40) LMNAPTGS1PTGS2ALDH1A1ALPI
SCHEMBL2523217 0.73 RAB9A (0.39) LMNAPTGS1PTGS2ALDH1A1KDM4E
SCHEMBL18695205 0.72 TP53 (0.41) LMNAPTGS1PTGS2ALDH1A1HPGD
SCHEMBL27783208 0.71 LMNA (0.40) LMNAALPIALPLTP53L3MBTL1
SCHEMBL18695253 0.70 TP53 (0.45) LMNAALDH1A1HPGDTP53L3MBTL1
SCHEMBL25212516 0.69 TGFBR1 (0.33) LMNAPTGS1PTGS2KDM4E
SCHEMBL18695186 0.68 L3MBTL1 (0.43) LMNAALDH1A1HPGDTP53L3MBTL1
SCHEMBL4559955 0.65 CRHR1 (0.41) LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170101398-A1 PYRAZOLYL SUBSTITUTED TETRAHYDROPYRANYLSULFONES Grünenthal GmbH (DE) 2017-04-13 — — US 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 (1 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 LMNA 2317/4885PTGS1 264/4885PTGS2 302/4885

“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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