SCHEMBL589273

SCHEMBL589273

CCOC(=O)c1c([S+](C)[O-])n(C2CC2)c2c(OC)c(Br)ccc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
MAPT P10636 4/20 0.44
ALOX15 P16050 3/20 0.44
USP2 O75604 2/20 0.44
NPSR1 Q6W5P4 2/20 0.39
TSHR P16473 2/20 0.36
GAA P10253 2/20 0.36
GRK6 P43250 1/20 0.35
ALDH1A1 P00352 4/20 0.33
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 2/20 0.32
APAF1 O14727 1/20 0.32
SMAD3 P84022 1/20 0.32
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL608352 0.89 GRK6 (0.35) MEN1KMT2AMAPTALOX15USP2
SCHEMBL589957 0.84 MEN1 (0.47) MEN1KMT2AMAPTALOX15USP2
SCHEMBL591459 0.83 MEN1 (0.45) MEN1KMT2AMAPTALOX15USP2
SCHEMBL606988 0.82 ADRB2 (0.38) GRK6
SCHEMBL14760221 0.82 KMT2A (0.44) MEN1KMT2AMAPTALOX15USP2
SCHEMBL7576971 0.75 KCNH2 (0.37) MEN1KMT2AMAPTALOX15USP2
Methane SCHEMBL589274 0.75 KMT2A (0.43) MEN1KMT2AMAPTALOX15USP2
SCHEMBL7496082 0.74 KCNH2 (0.48) MEN1KMT2AMAPTALOX15USP2
SCHEMBL5908665 0.73 KMT2A (0.42) MEN1KMT2AMAPTALOX15USP2
SCHEMBL537046 0.73 GRK6 (0.37) MEN1KMT2AMAPTALOX15USP2

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
EP-1664062-B1 ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS INC (US) 2013-03-13 EP disclosed
US-20120114601-A1 NEW ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
US-20120114601-A1 NEW ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
US-20120114601-A1 NEW ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
US-8114888-B2 Isothiazoloquinolones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. (US) 2012-02-14 US disclosed
US-8114888-B2 Isothiazoloquinolones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. (US) 2012-02-14 US disclosed
US-8114888-B2 Isothiazoloquinolones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. (US) 2012-02-14 US disclosed
US-20110223132-A1 ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2011-09-15 US disclosed
US-20110223132-A1 ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2011-09-15 US disclosed
US-20110223132-A1 ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2011-09-15 US disclosed
EP-1848723-B1 NEW ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS INC (US) 2010-12-15 EP disclosed
EP-1848723-B1 NEW ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS INC (US) 2010-12-15 EP disclosed
EP-1848723-A1 NEW ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS Achillion Pharmaceuticals, Inc. (US) 2007-10-31 EP disclosed
US-20060235041-A1 New isothiazoloquinolones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. 2006-10-19 US disclosed
WO-2006089054-A1 NEW ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2006-08-24 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 (3 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-20060235041-A1 New isothiazoloquinolones and related compounds as anti-infective agents TOP1, RECQL, IRF3 MEN1 2771/4885KMT2A 2704/4885MAPT 4634/4885
US-20120114601-A1 NEW ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS TOP1, RECQL, IRF3 MEN1 2771/4885KMT2A 2704/4885MAPT 4634/4885
US-20110223132-A1 ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS TOP1, IRF3, RECQL MEN1 2634/4885KMT2A 2638/4885MAPT 4590/4885

“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.