SCHEMBL1337641

SCHEMBL1337641

O=C(O)c1ccc(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.57
KMT2A Q03164 7/20 0.54
MEN1 O00255 4/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
RECQL P46063 1/20 0.54
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
THRB P10828 1/20 0.53
OPRK1 P41145 1/20 0.53
DRD4 P21917 2/20 0.51
CCR8 P51685 5/20 0.51
USP2 O75604 1/20 0.51
SIGMAR1 Q99720 1/20 0.50
MCL1 Q07820 1/20 0.49
PKM P14618 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
SCHEMBL1340082 0.91 HTT (0.55) HTTKMT2AMEN1CYP3A4CYP2D6
SCHEMBL1339959 0.85 KMT2A (0.53) HTTKMT2AMEN1CYP3A4CYP2D6
SCHEMBL1339960 0.85 KMT2A (0.53) HTTKMT2AMEN1CYP3A4CYP2D6
SCHEMBL12131771 0.84 KMT2A (0.64) HTTKMT2AMEN1CYP3A4CYP2D6
SCHEMBL1338785 0.82 CCR8 (0.70) CCR8
SCHEMBL13933761 0.82 CCR8 (0.60) HTTKMT2AMEN1CYP3A4CYP2D6
SCHEMBL1338613 0.81 THRB (0.63) HTTKMT2AMEN1CYP3A4CYP2D6
SCHEMBL12129669 0.81 KMT2A (0.56) HTTKMT2AMEN1CYP3A4CYP2D6
SCHEMBL4349154 0.81 CCR8 (0.71) CCR8
SCHEMBL4344607 0.79 CCR8 (0.66) HTTCCR8

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 13 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-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-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
US-7329755-B2 especially naphthalene sulfonamides, used for treating asthma MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-02-12 US disclosed
US-20050085518-A1 Aryl sulfonamides useful as inhibitors of chemokine receptor activity MILLENNIUM PHARMACEUTICALS, INC. 2005-04-21 US disclosed
US-20040224978-A1 CCR8 inhibitors MILLENNIUM PHARMACEUTICALS, INC. 2004-11-11 US disclosed
US-20040209948-A1 CCR8 Inhibitors MILLENNIUM PHARMACEUTICALS, INC. 2004-10-21 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-20050085518-A1 Aryl sulfonamides useful as inhibitors of chemokine receptor activity CCR8, CCR1, CCR3 HTT 4356/4885KMT2A 2668/4885MEN1 4774/4885
US-20090275556-A1 Aryl sulfonamides useful as inhibitors of chemokine receptor activity CCR8, CCR1, CCR3 HTT 4604/4885KMT2A 2964/4885MEN1 4759/4885
US-20040209948-A1 CCR8 Inhibitors CCR8, CCR1, CCR3 HTT 4885/4885KMT2A 3975/4885MEN1 4186/4885
US-20040224978-A1 CCR8 inhibitors CCR8, CCR1, CCRL2 HTT 4695/4885KMT2A 4530/4885MEN1 3701/4885

“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.