SCHEMBL1340611

SCHEMBL1340611

O=C1c2ccccc2CN1C(=O)c1cccc2c(S(=O)(=O)Cl)cccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 2/20 0.37
ALOX15 P16050 3/20 0.35
TSHR P16473 2/20 0.35
SIRT1 Q96EB6 1/20 0.35
ALDH1A1 P00352 1/20 0.34
XIAP P98170 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ACHE P22303 2/20 0.34
BACE1 P56817 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MAPT P10636 2/20 0.34
APOBEC3G Q9HC16 1/20 0.34
BRD4 O60885 1/20 0.32

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
SCHEMBL1338885 0.94 KDM4E (0.40) KDM4ESMN1; SMN2HTTKMT2AALOX15
SCHEMBL27840846 0.74 ACHE (0.47) KDM4ESMN1; SMN2HTTKMT2AALOX15
SCHEMBL1370711 0.74 KMT2A (0.50) KDM4ESMN1; SMN2HTTKMT2AALOX15
SCHEMBL1179178 0.74 HTT (0.44) KDM4ESMN1; SMN2HTTKMT2AALOX15
SCHEMBL2302594 0.71 SMN1; SMN2 (0.41) KDM4ESMN1; SMN2HTTKMT2AALOX15
SCHEMBL11289262 0.68 KDM4E (0.55) KDM4ESMN1; SMN2HTTKMT2AALOX15
SCHEMBL1339684 0.68 NR4A1 (0.50) SMN1; SMN2ALOX15TSHRALDH1A1HSD17B10
SCHEMBL28030346 0.67 HSD11B1 (0.44) KDM4ESMN1; SMN2HTTKMT2AALOX15
SCHEMBL2065531 0.67 KDM4E (0.57) KDM4ESMN1; SMN2HTTKMT2AALOX15
SCHEMBL29606824 0.67 KDM4E (0.57) KDM4ESMN1; SMN2HTTKMT2AALOX15

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 8 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
EP-1590327-A1 CCR8 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-02 EP disclosed
US-20050085518-A1 Aryl sulfonamides useful as inhibitors of chemokine receptor activity MILLENNIUM PHARMACEUTICALS, INC. 2005-04-21 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 KDM4E 3720/4885SMN1; SMN2 3991/4885HTT 4356/4885
US-20090275556-A1 Aryl sulfonamides useful as inhibitors of chemokine receptor activity CCR8, CCR1, CCR3 KDM4E 3818/4885SMN1; SMN2 3944/4885HTT 4604/4885
US-20040209948-A1 CCR8 Inhibitors CCR8, CCR1, CCR3 KDM4E 4654/4885SMN1; SMN2 3175/4885HTT 4885/4885

“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.