SCHEMBL28127

SCHEMBL28127

O=[N+]([O-])c1ccc(Cl)cc1SCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 10/20 0.55
PDE7B Q9NP56 3/20 0.55
GSTP1 P09211 1/20 0.54
GSTM2 P28161 1/20 0.54
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
CYP1A2 P05177 3/20 0.51
CYP3A4 P08684 3/20 0.51
CYP2C19 P33261 3/20 0.51
HPGD P15428 2/20 0.51
MAPK1 P28482 2/20 0.47
TSHR P16473 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL29449334 1.00 PDE7A (0.55) PDE7APDE7BGSTP1GSTM2KMT2A
SCHEMBL8668348 0.88 PDE7A (0.62) PDE7APDE7BGSTP1GSTM2KMT2A
SCHEMBL11429284 0.83 TDP1 (0.52) PDE7APDE7BGSTP1GSTM2KMT2A
SCHEMBL16225668 0.82 GSTP1 (0.54) PDE7APDE7BGSTP1GSTM2KMT2A
SCHEMBL11409450 0.82 GSTP1 (0.54) PDE7AGSTP1GSTM2KMT2AMEN1
SCHEMBL27225074 0.82 GSTP1 (0.54) GSTP1GSTM2KMT2AMEN1CYP1A2
SCHEMBL17784719 0.81 GSTP1 (0.53) GSTP1GSTM2KMT2AMEN1CYP1A2
SCHEMBL5376331 0.81 MEN1 (0.65) PDE7AGSTP1GSTM2KMT2AMEN1
SCHEMBL2777612 0.80 PDE7A (0.55) PDE7APDE7BKMT2AMAPK1TSHR
SCHEMBL11415231 0.79 PDE7A (0.52) PDE7APDE7BGSTP1GSTM2KMT2A

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5808164-A Process for producing aromatic sulfides PHILLIPE PETROLEUM COMPANY (US) 1998-09-15 US claimed
US-5618981-A Process for producing aromatic sulfides PHILLIPS PETROLEUM COMPANY (US) 1997-04-08 US claimed
US-20160068479-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNIUM PHARMECEUTICALS INC (US) 2016-03-10 US disclosed
EP-1507756-B1 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNIUM PHARM INC (US) 2015-07-22 EP disclosed
US-9035096-B2 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-05-19 US disclosed
US-20140107160-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-04-17 US disclosed
US-8569543-B2 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
US-20120100229-A1 Treatment and Prevention of White Matter Injury with KATP Channel Activators YALE UNIVERSITY 2012-04-26 US disclosed
EP-2402310-A1 CCR9 inhibitors and methods of use thereof Millennium Pharmaceuticals, Inc. (US) 2012-01-04 EP disclosed
EP-2402309-A1 CCR9 inhibitors and methods of use thereof Millennium Pharmaceuticals, Inc. (US) 2012-01-04 EP disclosed
EP-2399903-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2011-12-28 EP disclosed
US-7238717-B2 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-07-03 US disclosed
US-20070066823-A1 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2007-03-22 US disclosed
US-20060167251-A1 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2006-07-27 US disclosed
EP-1507756-A4 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNIUM PHARM INC (US) 2006-03-15 EP disclosed
EP-1507756-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2005-02-23 EP disclosed
US-20040038976-A1 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-02-26 US disclosed
WO-2003099773-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-12-04 WO disclosed
US-5808164-A Process for producing aromatic sulfides PHILLIPE PETROLEUM COMPANY (US) 1998-09-15 US disclosed
US-5618981-A Process for producing aromatic sulfides PHILLIPS PETROLEUM COMPANY (US) 1997-04-08 US 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 (5 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-20060167251-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 PDE7A 2137/4885PDE7B 2475/4885GSTP1 2983/4885
US-20140107160-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 PDE7A 2137/4885PDE7B 2475/4885GSTP1 2983/4885
US-20160068479-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 PDE7A 2137/4885PDE7B 2475/4885GSTP1 2983/4885
US-20040038976-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 PDE7A 2137/4885PDE7B 2475/4885GSTP1 2983/4885
US-20070066823-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 PDE7A 2137/4885PDE7B 2475/4885GSTP1 2983/4885

“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.