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.

Send feedback