SCHEMBL1339634

SCHEMBL1339634

C=CCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2)c2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 13/20 0.70
MAPT P10636 1/20 0.50
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
GPR55 Q9Y2T6 1/20 0.45
NPC1 O15118 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 1/20 0.45
CD40 P25942 1/20 0.44
CD40LG P29965 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 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
SCHEMBL1339724 0.82 CCR8 (1.00) CCR8KDM4EALDH1A1
SCHEMBL1339631 0.81 CCR8 (0.67) CCR8
SCHEMBL1337989 0.78 CCR8 (1.00) CCR8MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL1339474 0.78 CCR8 (1.00) CCR8KDM4ELMNA
SCHEMBL1338412 0.77 CCR8 (0.70) CCR8CYP1A2CYP2D6CYP2C9NPC1
SCHEMBL4108482 0.76 CCR8 (0.68) CCR8CYP1A2CYP2D6CYP2C9NPC1
SCHEMBL14215479 0.76 CCR8 (0.68) CCR8CYP1A2CYP2D6CYP2C9NPC1
SCHEMBL1338666 0.76 CCR8 (0.68) CCR8CYP1A2CYP2D6CYP2C9NPC1
SCHEMBL1338844 0.76 CCR8 (0.68) CCR8CYP1A2CYP2D6CYP2C9KDM4E
SCHEMBL23375456 0.76 LMNA (0.71) GPR55ALDH1A1LMNAHPGD

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013131010-A2 FUNCTION OF CHEMOKINE RECEPTOR CCR8 IN MELANOMA METASTASIS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2013-09-06 WO claimed
EP-1590327-A1 CCR8 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-02 EP claimed
EP-1581511-A1 CCR8 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-05 EP claimed
US-20050085518-A1 Aryl sulfonamides useful as inhibitors of chemokine receptor activity MILLENNIUM PHARMACEUTICALS, INC. 2005-04-21 US claimed
US-20040224978-A1 CCR8 inhibitors MILLENNIUM PHARMACEUTICALS, INC. 2004-11-11 US claimed
US-20040209948-A1 CCR8 Inhibitors MILLENNIUM PHARMACEUTICALS, INC. 2004-10-21 US claimed
WO-2004058709-A1 CCR8 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-07-15 WO claimed
WO-2004058736-A1 CCR8 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-07-15 WO claimed
WO-2013131010-A2 FUNCTION OF CHEMOKINE RECEPTOR CCR8 IN MELANOMA METASTASIS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2013-09-06 WO 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-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
EP-1581511-A1 CCR8 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-05 EP 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
WO-2004058709-A1 CCR8 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-07-15 WO disclosed
WO-2004058736-A1 CCR8 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-07-15 WO 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 CCR8 1/4885MAPT 4805/4885CYP1A2 1346/4885
US-20090275556-A1 Aryl sulfonamides useful as inhibitors of chemokine receptor activity CCR8, CCR1, CCR3 CCR8 1/4885MAPT 4835/4885CYP1A2 1175/4885
US-20040209948-A1 CCR8 Inhibitors CCR8, CCR1, CCR3 CCR8 1/4885MAPT 3918/4885CYP1A2 659/4885
US-20040224978-A1 CCR8 inhibitors CCR8, CCR1, CCRL2 CCR8 1/4885MAPT 2036/4885CYP1A2 1220/4885

“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.