SCHEMBL1339696

SCHEMBL1339696

COc1ccc(NS(=O)(=O)c2ccc(N)c3ccccc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.60
KEAP1 Q14145 1/20 0.60
NSD2 O96028 2/20 0.56
BCL2L1 Q07817 1/20 0.56
MCL1 Q07820 1/20 0.56
FABP4 P15090 2/20 0.53
PGR P06401 2/20 0.51
LMNA P02545 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSP90AA1 P07900 1/20 0.50
HSP90AB1 P08238 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
HTT P42858 2/20 0.49
CYP19A1 P11511 1/20 0.49
TSHR P16473 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 1/20 0.49

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
SCHEMBL9137240 0.84 CCR8 (0.55) CCR8KEAP1NSD2FABP4PGR
SCHEMBL4067674 0.82 PGR (0.56) CCR8BCL2L1MCL1PGRLMNA
SCHEMBL5187428 0.80 PGR (0.64) CCR8NSD2BCL2L1MCL1PGR
SCHEMBL8752480 0.80 PGR (0.74) CCR8BCL2L1MCL1PGRLMNA
SCHEMBL7132413 0.77 CA12 (0.49) CCR8NSD2FABP4LMNAALDH1A1
SCHEMBL10576622 0.77 LMNA (0.58) BCL2L1MCL1PGRLMNAALDH1A1
SCHEMBL1339700 0.76 CCR8 (0.93) CCR8BCL2L1MCL1FABP4LMNA
SCHEMBL1338789 0.76 CCR8 (0.53) CCR8NSD2BCL2L1MCL1FABP4
SCHEMBL10576359 0.76 MEN1 (0.70) PGRLMNAALDH1A1CYP19A1MEN1
SCHEMBL1339365 0.75 CCR8 (1.00) CCR8BCL2L1MCL1FABP4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063222-B2 Aryl sulfonamides useful as inhibitors of chemokine receptor activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-22 US disclosed
US-8063222-B2 Aryl sulfonamides useful as inhibitors of chemokine receptor activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-22 US disclosed
US-8063222-B2 Aryl sulfonamides useful as inhibitors of chemokine receptor activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-22 US disclosed
US-20090275556-A1 Aryl sulfonamides useful as inhibitors of chemokine receptor activity MILLENNIUM PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-20090275556-A1 Aryl sulfonamides useful as inhibitors of chemokine receptor activity MILLENNIUM PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-7491827-B2 Aryl sulfonamides useful as inhibitors of chemokine receptor activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-02-17 US disclosed
US-7491827-B2 Aryl sulfonamides useful as inhibitors of chemokine receptor activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-02-17 US disclosed
US-7378525-B2 CCR8 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-05-27 US disclosed
US-7378525-B2 CCR8 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-05-27 US disclosed
US-7329755-B2 especially naphthalene sulfonamides, used for treating asthma MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-02-12 US disclosed
US-7329755-B2 especially naphthalene sulfonamides, used for treating asthma MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-02-12 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 (1 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-20090275556-A1 Aryl sulfonamides useful as inhibitors of chemokine receptor activity CCR8, CCR1, CCR3 CCR8 1/4885KEAP1 817/4885NSD2 3018/4885

“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.