Sugi Predict

Sugi Predict / Compounds / SCHEMBL4794754

SCHEMBL4794754

SCHEMBL4794754

Cc1ccc(C(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccc(N3CCOCC3)c(F)c2)c[n+]1[O-]

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCR9 P51686 8/20 0.59
▸ LMNA P02545 5/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ TP53 P04637 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ POLB P06746 1/20 0.47
▸ SLC6A9 P48067 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CCR2 P41597 1/20 0.43

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
SCHEMBL16574549 0.89 LMNA (0.65) CCR9LMNAKMT2AMAPTHTT
SCHEMBL10249303 0.88 CCR9 (0.65) CCR9LMNAKMT2AMAPTHTT
SCHEMBL10248738 0.87 CCR9 (0.57) CCR9LMNAKMT2AMAPTHTT
SCHEMBL344365 0.87 CCR9 (0.57) CCR9LMNAKMT2AMAPTHTT
SCHEMBL344830 0.85 CCR9 (0.63) CCR9LMNAKMT2AMAPTHTT
SCHEMBL14074005 0.85 LMNA (0.51) CCR9LMNAKMT2AMAPTHTT
SCHEMBL343980 0.84 CCR9 (0.59) CCR9LMNAKMT2AMAPTHTT
SCHEMBL343168 0.82 CCR9 (0.67) CCR9LMNAKMT2AMAPTHTT
SCHEMBL13805782 0.81 CCR9 (0.53) CCR9LMNAKMT2AMAPTHTT
SCHEMBL344537 0.78 CCR9 (0.63) CCR9LMNAKMT2AMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008008374-A2 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. (US) 2008-01-17 — — WO claimed
US-20150080351-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC. 2015-03-19 — — US disclosed
US-20130267492-A1 ARYL SULFONAMIDES CHEMOCENTRYX, INC. (US) 2013-10-10 — — US disclosed
US-20120014997-A1 ARYL SULFONAMIDES UNGASHE SOLOMON (US) 2012-01-19 — — US disclosed
US-20090163498-A1 Aryl Sulfonamides CHEMOCENTRYX, INC. (US) 2009-06-25 — — US disclosed
US-7420055-B2 Antagonists of the chemokine receptor 9 (CCR9); inhibit TECK ligand; antiinflammatory agents and immunoregulators; inflammatory bowel disease; (2-phenylsulfonamidophenyl)-pyridinyl-methanones; N-[4-chloro-2(pyridine4-carbonyl)-phenyl]4-morpholin-4-yl-benzenesulfonamide CHEMOCENTRYX, INC. (US) 2008-09-02 — — 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 (4 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-20120014997-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 CCR9 1/4885LMNA 4484/4885KMT2A 2760/4885
US-20150080351-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 CCR9 1/4885LMNA 4484/4885KMT2A 2760/4885
US-20090163498-A1 Aryl Sulfonamides CCR9, CCR1, CCR2 CCR9 1/4885LMNA 4484/4885KMT2A 2760/4885
US-20130267492-A1 ARYL SULFONAMIDES CCR9, CCR1, CCR2 CCR9 1/4885LMNA 4484/4885KMT2A 2760/4885

“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.