SCHEMBL850418

SCHEMBL850418

Cc1cc(C(=O)N2CCC(C)(O)CC2)cc(C)c1C=CS(=O)(=O)N1CCC2(CC1)NC(=S)NC2=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 6/20 0.37
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
ACACB O00763 2/20 0.33
POLB P06746 2/20 0.32
DDB1 Q16531 2/20 0.32
GRM3 Q14832 1/20 0.31
SCN5A Q14524 1/20 0.31
SCN9A Q15858 1/20 0.31
CNR2 P34972 1/20 0.30
ATM Q13315 1/20 0.30
TACR1 P25103 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
SCHEMBL850417 1.00 CRBN (0.37) CRBNALDH1A1HTTACACBPOLB
SCHEMBL850956 0.90 CRBN (0.35) CRBNALDH1A1HTTACACBPOLB
SCHEMBL850955 0.90 CRBN (0.35) CRBNALDH1A1HTTACACBPOLB
SCHEMBL849164 0.88 CNR2 (0.35) CRBNALDH1A1HTTACACBPOLB
SCHEMBL849165 0.88 CNR2 (0.35) CRBNALDH1A1HTTACACBPOLB
SCHEMBL879965 0.81 ALDH1A1 (0.38) ALDH1A1HTTPOLBGRM3CNR2
SCHEMBL848387 0.79 ALDH1A1 (0.38) ALDH1A1HTTPOLBGRM3CNR2
SCHEMBL848388 0.79 ALDH1A1 (0.38) ALDH1A1HTTPOLBGRM3CNR2
SCHEMBL18211329 0.79 CRBN (0.44) CRBNALDH1A1HTTPOLBDDB1
SCHEMBL850420 0.76 PTH1R (0.36) ALDH1A1HTTPOLBCNR2ATM

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-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-21 US disclosed
EP-2433940-B9 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-10-28 EP disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
EP-2433940-B1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2014-09-24 EP disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US disclosed
EP-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 EP 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-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 CRBN 1932/4885ALDH1A1 836/4885HTT 1584/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 CRBN 1932/4885ALDH1A1 836/4885HTT 1584/4885

“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.