SCHEMBL849033

SCHEMBL849033

Cc1cc(S(=O)(=O)NCc2cccnc2)ccc1Br

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.71
SMN1; SMN2 Q16637 2/20 0.68
ALDH1A1 P00352 1/20 0.68
KMT2A Q03164 1/20 0.68
IDO1 P14902 1/20 0.64
TSHR P16473 2/20 0.62
POLB P06746 1/20 0.62
CYP2C19 P33261 1/20 0.58
MAPT P10636 1/20 0.57

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
SCHEMBL14419628 0.88 PKM (0.71) PKMSMN1; SMN2ALDH1A1KMT2AIDO1
SCHEMBL117930 0.84 PKM (0.65) PKMSMN1; SMN2ALDH1A1POLBCYP2C19
SCHEMBL15067289 0.82 IDO1 (0.64) PKMSMN1; SMN2ALDH1A1KMT2AIDO1
SCHEMBL1581598 0.81 CYP2C19 (0.67) PKMSMN1; SMN2ALDH1A1IDO1CYP2C19
SCHEMBL7011027 0.81 ALDH1A1 (0.74) PKMSMN1; SMN2ALDH1A1KMT2AIDO1
SCHEMBL14419626 0.80 MAPT (0.70) PKMSMN1; SMN2ALDH1A1KMT2AIDO1
SCHEMBL16589868 0.80 CYP2C19 (0.69) PKMSMN1; SMN2ALDH1A1KMT2AIDO1
SCHEMBL4319739 0.78 IDO1 (0.68) PKMSMN1; SMN2ALDH1A1KMT2AIDO1
SCHEMBL13065568 0.78 POLB (0.61) SMN1; SMN2ALDH1A1KMT2ATSHRPOLB
SCHEMBL7425436 0.78 PKM (0.82) PKMSMN1; SMN2ALDH1A1KMT2AIDO1

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 12 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-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
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
EP-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 EP 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 PKM 598/4885SMN1; SMN2 1005/4885ALDH1A1 836/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 PKM 598/4885SMN1; SMN2 1005/4885ALDH1A1 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.