SCHEMBL4353264

SCHEMBL4353264

O=S(=O)(O)c1ccc(NC(=S)Nc2ccccc2)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
CYP3A4 P08684 1/20 0.50
TAS2R38 P59533 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CCR8 P51685 1/20 0.49
PTPN7 P35236 1/20 0.48
CD40 P25942 1/20 0.47
CD40LG P29965 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
HTT P42858 1/20 0.46
CHAT P28329 1/20 0.45
SNCA P37840 1/20 0.45
TNNI3 P19429 1/20 0.45
TNNT2 P45379 1/20 0.45
TNNC1 P63316 1/20 0.45
HKDC1 Q2TB90 1/20 0.45
GAA P10253 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 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
SCHEMBL4353216 0.84 MAPT (0.56) ALDH1A1HSD17B10CCR8CD40CD40LG
SCHEMBL8615406 0.82 ENPP2 (0.49) CCR8CD40CD40LGTNNI3TNNT2
SCHEMBL8615412 0.82 ENPP2 (0.49) CCR8CD40CD40LGTNNI3TNNT2
SCHEMBL3897059 0.80 ALDH1A1 (0.53) ALDH1A1CYP3A4TAS2R38HSD17B10CCR8
SCHEMBL6345196 0.80 SNCA (0.61) ALDH1A1CYP3A4HSD17B10CCR8CD40
SCHEMBL3898596 0.79 ALDH1A1 (0.51) ALDH1A1CYP3A4TAS2R38HSD17B10CCR8
SCHEMBL6120265 0.78 CD40 (0.50) ALDH1A1HSD17B10CCR8CD40CD40LG
SCHEMBL1340170 0.77 CCR8 (0.71) ALDH1A1CYP3A4HSD17B10CCR8NPC1
SCHEMBL1338412 0.76 CCR8 (0.70) ALDH1A1CYP3A4HSD17B10CCR8CD40
SCHEMBL1857055 0.75 KMT2A (0.59) ALDH1A1CCR8CD40CD40LGHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 ALDH1A1 1041/4885CYP3A4 1888/4885TAS2R38 371/4885
US-20090275556-A1 Aryl sulfonamides useful as inhibitors of chemokine receptor activity CCR8, CCR1, CCR3 ALDH1A1 760/4885CYP3A4 1589/4885TAS2R38 490/4885
US-20040209948-A1 CCR8 Inhibitors CCR8, CCR1, CCR3 ALDH1A1 498/4885CYP3A4 1222/4885TAS2R38 246/4885
US-20040224978-A1 CCR8 inhibitors CCR8, CCR1, CCRL2 ALDH1A1 491/4885CYP3A4 2080/4885TAS2R38 192/4885

“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.