SCHEMBL848003

SCHEMBL848003

Cc1cc(C(=O)N2CCS(=O)(=O)CC2)ccc1Br

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.56
TSHR P16473 2/20 0.55
ALDH1A1 P00352 6/20 0.48
TP53 P04637 2/20 0.48
MGLL Q99685 1/20 0.47
CNR2 P34972 2/20 0.45
KMT2A Q03164 2/20 0.43
GLA P06280 1/20 0.43
HTR1D P28221 2/20 0.43
HTR1B P28222 2/20 0.43
HTR2A P28223 2/20 0.43
PLA2G7 Q13093 1/20 0.43
MEN1 O00255 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL849340 0.85 HPGD (0.59) HPGDTSHRALDH1A1TP53MGLL
SCHEMBL848798 0.84 HPGD (0.77) HPGDTSHRALDH1A1TP53MGLL
SCHEMBL9300442 0.84 HPGD (0.71) HPGDTSHRALDH1A1TP53MGLL
SCHEMBL2376496 0.83 HPGD (0.77) HPGDTSHRALDH1A1TP53CNR2
SCHEMBL2378485 0.83 HPGD (0.77) HPGDTSHRALDH1A1TP53CNR2
SCHEMBL12068505 0.82 GLA (0.55) HPGDALDH1A1TP53KMT2AGLA
SCHEMBL2378109 0.81 HPGD (0.67) HPGDTSHRALDH1A1KMT2AGLA
SCHEMBL850574 0.79 HSP90AA1 (0.59) HPGDTSHRALDH1A1TP53MGLL
SCHEMBL24556567 0.78 AKR1C1 (0.59) HPGDTSHRALDH1A1TP53MGLL
SCHEMBL2376824 0.78 HPGD (0.55) HPGDTSHRALDH1A1TP53MGLL

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 15 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-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
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
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
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
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 (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 HPGD 2068/4885TSHR 914/4885ALDH1A1 836/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 HPGD 2068/4885TSHR 914/4885ALDH1A1 836/4885

“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.