SCHEMBL3593496

SCHEMBL3593496

CC(C)(C)c1ccc(S(=O)(=O)N2c3ccc(Br)cc3CC2C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD11B1 P28845 9/20 0.40
LMNA P02545 3/20 0.39
ALDH1A1 P00352 4/20 0.38
ACHE P22303 1/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL3593098 0.88 RORC (0.41) RORCMEN1KMT2AHSD11B1LMNA
SCHEMBL927334 0.87 RORC (0.49) RORCMEN1KMT2AHSD11B1
SCHEMBL926085 0.84 LMNA (0.50) MEN1KMT2AHSD11B1LMNAALDH1A1
SCHEMBL3591921 0.84 LMNA (0.50) MEN1KMT2AHSD11B1LMNAALDH1A1
SCHEMBL927296 0.75 ESR1 (0.54) RORCMEN1KMT2AHSD11B1LMNA
SCHEMBL926444 0.74 HSD11B1 (0.50) HSD11B1LMNAALDH1A1
SCHEMBL3588564 0.72 LMNA (0.47) MEN1KMT2AHSD11B1LMNAALDH1A1
SCHEMBL926520 0.72 MEN1 (0.43) MEN1KMT2AHSD11B1LMNAALDH1A1
SCHEMBL926157 0.70 RORC (0.51) RORCMEN1KMT2AALDH1A1GAA
SCHEMBL15280427 0.70 LMNA (0.67) LMNAALDH1A1POLBAPOBEC3AAPOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781481-B2 N-arylsulfonyl-2,3-dihydro-1H-indoles and the use thereof as CCR9 inhibitors NOVARTIS AG (CH) 2010-08-24 US claimed
CN-101326164-A Inhibitors of CCR9 activity NOVARTIS AG (CH) 2008-12-17 CN claimed
US-20080269312-A1 Inhibitors of Ccr9 Activity NOVARTIS AG (CH) 2008-10-30 US claimed
EP-1968939-A2 INHIBITORS OF CCR9 ACTIVITY Novartis AG (CH) 2008-09-17 EP claimed
WO-2007071442-A2 INHIBITORS OF CCR9 ACTIVITY NOVARTIS AG (CH) 2007-06-28 WO claimed
US-7781481-B2 N-arylsulfonyl-2,3-dihydro-1H-indoles and the use thereof as CCR9 inhibitors NOVARTIS AG (CH) 2010-08-24 US disclosed
CN-101326164-A Inhibitors of CCR9 activity NOVARTIS AG (CH) 2008-12-17 CN disclosed
US-20080269312-A1 Inhibitors of Ccr9 Activity NOVARTIS AG (CH) 2008-10-30 US disclosed
EP-1968939-A2 INHIBITORS OF CCR9 ACTIVITY Novartis AG (CH) 2008-09-17 EP disclosed
WO-2007071442-A2 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-20080269312-A1 Inhibitors of Ccr9 Activity CCR9, CCR1, CCR4 RORC 191/4885MEN1 4071/4885KMT2A 3596/4885

“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.