SCHEMBL879971

SCHEMBL879971

Cc1ccc(S(=O)(=O)OCCn2ccc3c(Br)cccc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 6/20 0.58
HTR6 P50406 5/20 0.39
PTGS2 P35354 1/20 0.38
POLB P06746 1/20 0.36
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
MAPT P10636 1/20 0.34
VDR P11473 1/20 0.34
MEN1 O00255 1/20 0.34
ESR1 P03372 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
ESR2 Q92731 1/20 0.34

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
SCHEMBL9037283 0.80 CYP24A1 (0.53) CYP24A1PTGS2POLBMAPTMEN1
SCHEMBL12543864 0.75 HTR2C (0.41)
SCHEMBL8122231 0.73 CYP24A1 (0.62) CYP24A1MAPTMEN1ESR1GAA
SCHEMBL1581431 0.73 PTGS2 (0.62) CYP24A1HTR6PTGS2MAPTVDR
SCHEMBL30096985 0.71 HTR6 (0.56) HTR6POLBPPARGPPARDPPARA
SCHEMBL31748895 0.71 SMN1; SMN2 (0.58) POLBMAPTMEN1GAAKMT2A
SCHEMBL29275196 0.70 CYP24A1 (0.46) CYP24A1HTR6MAPTGAA
SCHEMBL8211578 0.69 ALDH1A1 (0.44) CYP24A1POLBGAAKMT2A
SCHEMBL241884 0.69 CA1 (0.52) VDRGAAKMT2A
SCHEMBL5748460 0.69 LMNA (0.48) CYP24A1POLBVDRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US disclosed
WO-2010126030-A1 SPIROIMIDAZOLONE DERIVATIVE 中外製薬株式会社 (JP) 2010-11-04 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 (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-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 CYP24A1 1380/4885HTR6 1419/4885PTGS2 2902/4885

“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.