SCHEMBL12129669

SCHEMBL12129669

[C-]#[N+]c1ccc(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.56
MEN1 O00255 3/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
RECQL P46063 1/20 0.56
HTT P42858 1/20 0.56
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
THRB P10828 1/20 0.52
CCR8 P51685 3/20 0.48
OPRK1 P41145 1/20 0.47
MAPT P10636 1/20 0.47
SIGMAR1 Q99720 2/20 0.46
TP53 P04637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
USP2 O75604 1/20 0.46
HTR1A P08908 1/20 0.45
HTR7 P34969 1/20 0.45
CCR3 P51677 1/20 0.44

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
SCHEMBL12131771 0.83 KMT2A (0.64) KMT2AMEN1CYP3A4CYP2D6CYP2C19
SCHEMBL1337641 0.81 HTT (0.57) KMT2AMEN1CYP3A4CYP2D6CYP2C19
SCHEMBL13933761 0.81 CCR8 (0.60) KMT2AMEN1CYP3A4CYP2D6CYP2C19
SCHEMBL1338613 0.80 THRB (0.63) KMT2AMEN1CYP3A4CYP2D6CYP2C19
SCHEMBL1340082 0.80 HTT (0.55) KMT2AMEN1CYP3A4CYP2D6CYP2C19
SCHEMBL19111392 0.77 KMT2A (0.58) KMT2AMEN1CYP3A4CYP2D6CYP2C19
SCHEMBL1338785 0.77 CCR8 (0.70) CCR8
SCHEMBL6965515 0.76 HTT (0.85) KMT2AMEN1CYP3A4CYP2D6CYP2C19
SCHEMBL3961060 0.76 HTT (0.64) KMT2AMEN1CYP3A4CYP2D6CYP2C19
SCHEMBL1339959 0.74 KMT2A (0.53) KMT2AMEN1CYP3A4CYP2D6CYP2C19

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 5 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-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-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 KMT2A 2964/4885MEN1 4759/4885CYP3A4 1589/4885

“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.