SCHEMBL8063113

SCHEMBL8063113

CS(=O)(=O)OCc1cccc(COS(C)(=O)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.45
CA9 Q16790 3/20 0.45
CA1 P00915 2/20 0.45
PTPN1 P18031 2/20 0.42
IDO1 P14902 6/20 0.39
CYP19A1 P11511 3/20 0.38
AGXT P21549 4/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
PTPRC P08575 1/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MMP9 P14780 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
NR3C1 P04150 1/20 0.36

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
SCHEMBL13224004 0.92 PTPN1 (0.41) CA2CA9CA1PTPN1IDO1
SCHEMBL15687584 0.91 PTPN1 (0.40) CA2CA9CA1PTPN1IDO1
SCHEMBL5644026 0.88 IDO1 (0.56) CA2CA9CA1IDO1LMNA
SCHEMBL28131103 0.87 IDO1 (0.55) CA2CA9CA1PTPN1IDO1
SCHEMBL12747218 0.87 CYP4F2 (0.45) CA2CA9CA1ALDH1A1
SCHEMBL778647 0.87 IDO1 (0.55) IDO1AGXT
SCHEMBL16619747 0.87 IDO1 (0.55) IDO1AGXTALDH1A1MMP9
SCHEMBL3593702 0.85 IDO1 (0.46) CA2CA9CA1PTPN1IDO1
SCHEMBL5636631 0.85 IDO1 (0.59) IDO1AGXT
SCHEMBL16935702 0.85 CA2 (0.38) CA2CA9CA1PTPN1IDO1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170183419-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2017-06-29 US disclosed
US-9550787-B2 Benzodiazepine derivatives IMMUNOGEN, INC. (US) 2017-01-24 US disclosed
EP-3100745-A1 NOVEL BENZODIAZEPINE DERIVATIVES Immunogen, Inc. (US) 2016-12-07 EP disclosed
EP-2393362-B1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN INC (US) 2016-08-24 EP disclosed
US-20160222013-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2016-08-04 US disclosed
US-20150030616-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2015-01-29 US disclosed
US-8809320-B2 Benzodiazepine derivatives IMMUNOGEN, INC. (US) 2014-08-19 US disclosed
US-8802667-B2 Benzodiazepine derivatives IMMUNOGEN, INC. (US) 2014-08-12 US disclosed
US-20130302357-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2013-11-14 US disclosed
US-20130266596-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2013-10-10 US disclosed
US-8426402-B2 Benzodiazepine derivatives IMMUNOGEN, INC. (US) 2013-04-23 US disclosed
US-8426402-B2 Benzodiazepine derivatives IMMUNOGEN, INC. (US) 2013-04-23 US disclosed
US-20100203007-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN INC. (US) 2010-08-12 US disclosed
US-20100203007-A1 NOVEL BENZODIAZEPINE DERIVATIVES IMMUNOGEN INC. (US) 2010-08-12 US disclosed
US-6013407-A PHOTORESISTS WITH PHENOLIC RESINS, QUINONEDIAZIDE SULFONATES, PHOTOSENSITIVE AGENTS AND PHENOLIC COMPOUNDS NIPPON ZEON CO., LTD. (JP) 2000-01-11 US disclosed
EP-0831370-A1 POSITIVE RESIST COMPOSITION NIPPON ZEON CO., LTD. (JP) 1998-03-25 EP 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 (6 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-20130266596-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 CA2 2063/4885CA9 3324/4885CA1 1583/4885
US-20160222013-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 CA2 2063/4885CA9 3324/4885CA1 1583/4885
US-20100203007-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 CA2 2063/4885CA9 3324/4885CA1 1583/4885
US-20170183419-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 CA2 2063/4885CA9 3324/4885CA1 1583/4885
US-20150030616-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 CA2 2063/4885CA9 3324/4885CA1 1583/4885
US-20130302357-A1 NOVEL BENZODIAZEPINE DERIVATIVES GABRB1, GABRB3, GABRA1 CA2 2063/4885CA9 3324/4885CA1 1583/4885

“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.