SCHEMBL28828

SCHEMBL28828

O=C(c1ccccc1F)c1cc(Cl)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
HTT P42858 2/20 0.54
TP53 P04637 1/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
BDKRB1 P46663 1/20 0.52
CCR9 P51686 5/20 0.50
FLT1 P17948 1/20 0.49
FLT4 P35916 1/20 0.49
KDR P35968 1/20 0.49
KCNA5 P22460 1/20 0.48

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
SCHEMBL12032422 0.91 LMNA (0.53) LMNAHTTTP53MAPTKMT2A
SCHEMBL27668 0.90 LMNA (0.62) LMNAHTTTP53MAPTKMT2A
SCHEMBL27476 0.89 CRHBP (0.57) LMNAHTTTP53MAPTKMT2A
SCHEMBL28160 0.86 LMNA (0.73) LMNAHTTTP53MAPTKMT2A
SCHEMBL28812 0.86 LMNA (0.73) LMNAHTTTP53MAPTKMT2A
SCHEMBL8989961 0.85 BDKRB1 (0.54) LMNAHTTTP53MAPTKMT2A
SCHEMBL28201 0.85 LMNA (0.57) LMNAHTTTP53MAPTKMT2A
SCHEMBL3083406 0.84 CCR2 (0.55) LMNAHTTTP53MAPTKMT2A
SCHEMBL13146461 0.83 LMNA (0.52) LMNAHTTTP53MAPTKMT2A
SCHEMBL12032416 0.83 LMNA (0.57) LMNAHTTTP53MAPTKMT2A

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 61 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-20100324093-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-23 US claimed
US-7741519-B2 Bis-aryl sulfonamides CHEMOCENTRYX, INC. (US) 2010-06-22 US claimed
US-20100093802-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNNIUM PHARMACEUTICALS, INC. (US) 2010-04-15 US claimed
US-20080261966-A1 BIS-ARYL SULFONAMIDES UNGASHE SOLOMON 2008-10-23 US claimed
US-7227035-B2 Bis-aryl sulfonamides CHEMOCENTRYX (US) 2007-06-05 US claimed
US-20070066823-A1 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2007-03-22 US claimed
US-20060167251-A1 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2006-07-27 US claimed
EP-1507756-A4 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNIUM PHARM INC (US) 2006-03-15 EP claimed
JP-2005526857-A 2005-09-08 JP claimed
EP-1507756-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2005-02-23 EP claimed
WO-2003099773-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-12-04 WO 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
EP-1507756-B1 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNIUM PHARM INC (US) 2015-07-22 EP disclosed
US-5578633-A VASOPRESSIN AND OXYTOCIN ANTAGONISTS SANOFI (FR) 1996-11-26 US disclosed
US-5481005-A N-sulfonylindoline derivatives, their preparation and the pharmaceutical compositions in which they are present SANOFI (FR) 1996-01-02 US disclosed
US-5397801-A Affinity for vasopressin and ocytocin receptors; disorders of nervous, cardiovascular and gastrointestinal systems SANOFI (FR) 1995-03-14 US disclosed
US-5338755-A Have affinity for vasopressin and ocytocin receptors; intermediates for drugs that act on central nervous system ELF SANOFI (FR) 1994-08-16 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 (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-20100093802-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 LMNA 3548/4885HTT 4358/4885TP53 3735/4885
US-20060167251-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 LMNA 3548/4885HTT 4358/4885TP53 3735/4885
US-20160068479-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 LMNA 3548/4885HTT 4358/4885TP53 3735/4885
US-20080261966-A1 BIS-ARYL SULFONAMIDES CCR2, CXCR2, CCL2 LMNA 4769/4885HTT 3567/4885TP53 3183/4885
US-20070066823-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 LMNA 3548/4885HTT 4358/4885TP53 3735/4885
US-20100324093-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 LMNA 3548/4885HTT 4358/4885TP53 3735/4885

“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.