SCHEMBL4686846

SCHEMBL4686846

CC(C)c1ccc(S(=O)(=O)Nc2cc(Cl)ncn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.51
KMO O15229 1/20 0.48
KIT P10721 1/20 0.46
CCR2 P41597 1/20 0.46
ALDH1A1 P00352 3/20 0.45
PGR P06401 1/20 0.45
KDM4E B2RXH2 3/20 0.43
LMNA P02545 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
POLB P06746 2/20 0.43
TRIM24 O15164 1/20 0.43
BRD1 O95696 1/20 0.43
BRPF1 P55201 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
SCN9A Q15858 2/20 0.42
GFER P55789 1/20 0.42

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
SCHEMBL25442187 0.82 CYP2C19 (0.76) CYP2C19ALDH1A1KDM4ELMNANPSR1
SCHEMBL7486509 0.82 ALDH1A1 (0.61) CYP2C19ALDH1A1KDM4ELMNAMAPT
Sulfamonomethoxine SCHEMBL28223172 0.76 CYP2C19 (0.86) CYP2C19ALDH1A1KDM4ELMNANPSR1
SCHEMBL2270981 0.74 NPC1 (0.65) ALDH1A1LMNASMN1; SMN2SCN9A
SCHEMBL14057177 0.74 CCR2 (0.49) KITCCR2ALDH1A1PGRLMNA
SCHEMBL11977002 0.74 KDM4E (0.70) CYP2C19ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL4103668 0.73 MEN1 (0.55) KITALDH1A1PGRKDM4ELMNA
SCHEMBL26758662 0.72 ALDH1A1 (0.69) ALDH1A1KDM4ELMNAPOLBMAPT
SCHEMBL31246327 0.72 CYP2C19 (0.60) CYP2C19ALDH1A1LMNANPSR1SMN1; SMN2
SCHEMBL22581664 0.71 DEGS1 (0.57) ALDH1A1KDM4ELMNASMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1517890-B1 CATIONICALLY SUBSTITUTED DIPHENYL AZETIDINONES, METHOD FOR THEIR PRODUCTION, MEDICAMENTS CONTAINING SAID COMPOUNDS AND USE THEREOF SANOFI AVENTIS DEUTSCHLAND (DE) 2008-07-16 EP claimed
US-8476275-B2 N-[piperazinyl hetaryl]arylsufonamide compounds with affinity for the dopamine D3 receptor ABBOTT GMBH & CO. KG (DE) 2013-07-02 US disclosed
CN-1805937-B N-[(piperazinyl)hetaryl]arylsulfonamide compounds with affinity for the dopamine D3 receptor. ABBOTT GMBH & CO KG 2012-07-11 CN disclosed
US-20110294817-A1 N-[PIPERAZINYL HETARYL]ARYLSUFONAMIDE COMPOUNDS WITH AFFINITY FOR THE DOPAMINE D3 RECEPTOR ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2011-12-01 US disclosed
EP-1613596-B1 N-[(PIPERAZINYL)HETARYL]ARYLSULFONAMIDE COMPOUNDS WITH AFFINITY FOR THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2008-03-12 EP disclosed
US-7320979-B2 N-[(piperazinyl)hetaryl]arylsulfonamide compounds ABBOTT GMBH & CO. KG. (DE) 2008-01-22 US disclosed
US-20070054918-A1 N-[(piperazinyl)hetary]arylsulfonamide compounds with affinity for the dopamine d3 receptor ABBOTT GMBH & CO. KG (DE) 2007-03-08 US disclosed
US-20060160809-A1 N-[(piperazinyl)hetaryl]arylsulfonamide compounds ABBOTT GMBH & CO. KG. 2006-07-20 US disclosed
CN-1805937-A N-[(piperazinyl)hetaryl]arylsulfonamide compounds with affinity for the dopamine D3 receptor. BRAJE WILFRIED (DE) 2006-07-19 CN disclosed
EP-1613596-A1 N-[(PIPERAZINYL)HETARYL]ARYLSULFONAMIDE COMPOUNDS WITH AFFINITY FOR THE DOPAMINE D3 RECEPTOR Abbott GmbH & Co. KG (DE) 2006-01-11 EP disclosed
WO-2004089905-A1 N-[(PIPERAZINYL)HETARYL]ARYLSULFONAMIDE COMPOUNDS WITH AFFINITY FOR THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2004-10-21 WO disclosed
US-20040204422-A1 N-[(Piperazinyl)hetaryl]arylsulfonamide compounds ABBOTT GMBH & CO. KG. 2004-10-14 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-20040204422-A1 N-[(Piperazinyl)hetaryl]arylsulfonamide compounds CBR1, CBR3, CNR2 CYP2C19 173/4885KMO 1598/4885KIT 4290/4885
US-20110294817-A1 N-[PIPERAZINYL HETARYL]ARYLSUFONAMIDE COMPOUNDS WITH AFFINITY FOR THE DOPAMINE D3 RECEPTOR DRD2, DRD3, TACR1 CYP2C19 474/4885KMO 1421/4885KIT 4305/4885
US-20070054918-A1 N-[(piperazinyl)hetary]arylsulfonamide compounds with affinity for the dopamine d3 receptor PTGDR, TACR1, TACR2 CYP2C19 632/4885KMO 961/4885KIT 4321/4885
US-20060160809-A1 N-[(piperazinyl)hetaryl]arylsulfonamide compounds CBR3, CNR2, CNR1 CYP2C19 472/4885KMO 929/4885KIT 4251/4885

“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.