SCHEMBL4649546

SCHEMBL4649546

N#Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 5/20 0.63
CYP3A4 P08684 2/20 0.53
PPARG P37231 2/20 0.53
MCL1 Q07820 3/20 0.53
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
SLC40A1 Q9NP59 3/20 0.49
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
ALOX12 P18054 1/20 0.46
KMT2A Q03164 1/20 0.46
NLRP1 Q9C000 1/20 0.46
CCR2 P41597 1/20 0.46
ITGA1 P56199 2/20 0.45
PTGDR Q13258 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45
EDNRA P25101 1/20 0.45

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
SCHEMBL4650569 0.83 SLC22A12 (0.73) SLC22A12CYP3A4PPARGMEN1LMNA
SCHEMBL7588364 0.78 SLC40A1 (0.63) PPARGMCL1HPGDTSHRSLC40A1
SCHEMBL4649684 0.77 SLC22A12 (0.54) SLC22A12LMNAMAPTKMT2ACCR2
SCHEMBL4650351 0.77 TRPV4 (0.51) SLC22A12CYP3A4PPARGMCL1HPGD
SCHEMBL4649541 0.77 HSD17B2 (0.67) SLC22A12CCR2
SCHEMBL4650211 0.74 SLC22A12 (0.63) SLC22A12MCL1LMNACCR2
SCHEMBL7577319 0.74 SLC40A1 (0.63) CYP3A4PPARGMCL1HPGDTSHR
SCHEMBL3268657 0.72 MAPT (0.61) CYP3A4PPARGMCL1HPGDTSHR
SCHEMBL4799566 0.72 ALDH1A1 (0.63) MCL1HPGDTSHRSLC40A1MEN1
SCHEMBL4799558 0.72 SLC40A1 (0.56) PPARGMCL1HPGDTSHRSLC40A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275114-A1 Inhibitors of Ccr9 Activity NOVARTIS AG (CH) 2008-11-06 US claimed
EP-1966131-A1 INHIBITORS OF CCR9 ACTIVITY Novartis Pharma AG (CH) 2008-09-10 EP claimed
WO-2007071443-A1 INHIBITORS OF CCR9 ACTIVITY NOVARTIS AG (CH) 2007-06-28 WO claimed
US-20080275114-A1 Inhibitors of Ccr9 Activity NOVARTIS AG (CH) 2008-11-06 US disclosed
EP-1966131-A1 INHIBITORS OF CCR9 ACTIVITY Novartis Pharma AG (CH) 2008-09-10 EP disclosed
WO-2007071443-A1 INHIBITORS OF CCR9 ACTIVITY NOVARTIS AG (CH) 2007-06-28 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 (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-20080275114-A1 Inhibitors of Ccr9 Activity CCR9, CCR1, CCR4 SLC22A12 2675/4885CYP3A4 896/4885PPARG 3824/4885

“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.