SCHEMBL880128

SCHEMBL880128

Cc1cc(C(=O)N2CCC(O)(CF)CC2)cc(C)c1/C=C/S(=O)(=O)N1CCC(N)(C(N)=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
HTT P42858 1/20 0.36
GAA P10253 2/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
PKM P14618 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 2/20 0.31
MAPK1 P28482 1/20 0.31
LMNA P02545 1/20 0.31
PKLR P30613 2/20 0.30
USP2 O75604 1/20 0.30
YAP1 P46937 1/20 0.30
TEAD4 Q15561 1/20 0.30
HTR1A P08908 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
SCHEMBL848387 0.88 ALDH1A1 (0.38) ALDH1A1HTTGAARECQLSMN1; SMN2
SCHEMBL848388 0.88 ALDH1A1 (0.38) ALDH1A1HTTGAARECQLSMN1; SMN2
SCHEMBL880124 0.85 ALDH1A1 (0.35) ALDH1A1HTTGAARECQLSMN1; SMN2
SCHEMBL849321 0.83 ALDH1A1 (0.38) ALDH1A1HTTGAARECQLSMN1; SMN2
SCHEMBL849322 0.83 ALDH1A1 (0.38) ALDH1A1HTTGAARECQLSMN1; SMN2
SCHEMBL849939 0.83 ALDH1A1 (0.38) ALDH1A1HTTGAARECQLSMN1; SMN2
SCHEMBL849938 0.83 ALDH1A1 (0.38) ALDH1A1HTTGAARECQLSMN1; SMN2
SCHEMBL849489 0.82 PDK2 (0.36) ALDH1A1HTTGAARECQLSMN1; SMN2
SCHEMBL849488 0.82 PDK2 (0.36) ALDH1A1HTTGAARECQLSMN1; SMN2
SCHEMBL850955 0.81 CRBN (0.35) ALDH1A1HTT

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 8 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
EP-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 EP 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 ALDH1A1 836/4885HTT 1584/4885GAA 4027/4885

“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.