SCHEMBL28981

SCHEMBL28981

O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1csc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.58
HTT P42858 3/20 0.58
PDPK1 O15530 1/20 0.53
CCR2 P41597 2/20 0.50
CCR1 P32246 1/20 0.50
CCR4 P51679 1/20 0.50
CCR9 P51686 6/20 0.48
MAPT P10636 4/20 0.47
CCKBR P32239 1/20 0.47
ALDH1A1 P00352 2/20 0.47
TP53 P04637 2/20 0.47
KMT2A Q03164 1/20 0.47
PIN1 Q13526 1/20 0.46
ITGA1 P56199 1/20 0.46

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
SCHEMBL13077397 0.87 LMNA (0.53) LMNAHTTMAPTCCKBRALDH1A1
SCHEMBL2528982 0.80 ITGA1 (0.69) LMNAHTTCCR2CCR9MAPT
SCHEMBL2528312 0.80 LMNA (0.67) LMNAHTTCCR9MAPTALDH1A1
SCHEMBL33254 0.79 LMNA (0.61) LMNAHTTCCR2CCR9MAPT
SCHEMBL27979 0.79 LMNA (0.83) LMNAHTTCCR2CCR9MAPT
SCHEMBL2533283 0.78 LMNA (0.64) LMNAHTTCCR2CCR9MAPT
SCHEMBL16715960 0.78 LMNA (0.71) LMNAHTTCCR2CCR9MAPT
SCHEMBL2528724 0.78 LMNA (0.64) LMNAHTTCCR2CCR9MAPT
SCHEMBL28006 0.78 LMNA (0.86) LMNAHTTCCR2CCR9MAPT
SCHEMBL27232 0.77 LMNA (0.63) LMNAHTTCCR2CCR9MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2402310-A1 CCR9 inhibitors and methods of use thereof Millennium Pharmaceuticals, Inc. (US) 2012-01-04 EP claimed
EP-2399903-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2011-12-28 EP claimed
US-20160068479-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNIUM PHARMECEUTICALS INC (US) 2016-03-10 US disclosed
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-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-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-8569543-B2 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
US-7659272-B2 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-02-09 US disclosed
US-7659272-B2 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-02-09 US disclosed
US-20090054495-A1 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2009-02-26 US disclosed
US-20080103180-A1 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-05-01 US disclosed
US-20080103180-A1 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-05-01 US disclosed
US-7282502-B2 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-10-16 US disclosed
US-7282502-B2 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-10-16 US disclosed
US-20070066823-A1 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2007-03-22 US disclosed
US-20070066823-A1 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2007-03-22 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-20140107160-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 LMNA 3548/4885HTT 4358/4885PDPK1 1477/4885
US-20160068479-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 LMNA 3548/4885HTT 4358/4885PDPK1 1477/4885
US-20090054495-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 LMNA 3548/4885HTT 4358/4885PDPK1 1477/4885
US-20070066823-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 LMNA 3548/4885HTT 4358/4885PDPK1 1477/4885
US-20080103180-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 LMNA 3548/4885HTT 4358/4885PDPK1 1477/4885

“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.