SCHEMBL2472645

SCHEMBL2472645

Cc1cc(S(=O)(=O)NCC(=O)O)ccc1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.57
MMP2 P08253 1/20 0.57
MMP3 P08254 1/20 0.57
MMP7 P09237 1/20 0.57
MMP9 P14780 1/20 0.57
MMP13 P45452 1/20 0.57
APEX1 P27695 1/20 0.57
KDM4E B2RXH2 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
KMT2A Q03164 1/20 0.54
ALDH1A1 P00352 4/20 0.53
GAA P10253 1/20 0.53
MMP12 P39900 1/20 0.53
GRIN2D O15399 1/20 0.52
GRIN3B O60391 1/20 0.52
GRIN1 Q05586 1/20 0.52
GRIN2A Q12879 1/20 0.52
GRIN2B Q13224 1/20 0.52
GRIN2C Q14957 1/20 0.52
GRIN3A Q8TCU5 1/20 0.52

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
SCHEMBL849361 0.87 IDO1 (0.44) MMP1MMP2MMP3MMP7MMP9
SCHEMBL2472031 0.87 ALDH1A1 (0.64) KDM4EKMT2AALDH1A1GAAATM
SCHEMBL848461 0.84 ALDH1A1 (0.44) MMP1MMP2MMP3MMP7MMP9
SCHEMBL13065421 0.83 ALDH1A1 (0.55) KDM4EALDH1A1GAA
SCHEMBL13262783 0.81 ALDH1A1 (0.46) KDM4EALDH1A1GAA
SCHEMBL16492321 0.81 ALDH1A1 (0.65) KMT2AALDH1A1
SCHEMBL20743599 0.80 ALDH1A1 (0.56) KMT2AALDH1A1GAAATM
SCHEMBL30309623 0.80 ALDH1A1 (0.56) KMT2AALDH1A1GAAATM
SCHEMBL850844 0.78 MAPK1 (0.63) KMT2AALDH1A1ATM
SCHEMBL2472829 0.78 APEX1 (0.54) MMP1MMP2MMP3MMP7MMP9

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-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-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
EP-2370431-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE Almirall S.A. (ES) 2011-10-05 EP disclosed
WO-2010126030-A1 SPIROIMIDAZOLONE DERIVATIVE 中外製薬株式会社 (JP) 2010-11-04 WO disclosed
WO-2010072352-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2010-07-01 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-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE S1PR1, S1PR2, S1PR3 MMP1 3003/4885MMP2 2954/4885MMP3 1975/4885
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 MMP1 4182/4885MMP2 2725/4885MMP3 1111/4885

“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.