SCHEMBL3593098

SCHEMBL3593098

COC(=O)C1Cc2cc(Br)ccc2N1S(=O)(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
HSD11B1 P28845 6/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RECQL P46063 1/20 0.39
MMP2 P08253 2/20 0.39
ANPEP P15144 2/20 0.39
NR1I2 O75469 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 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
SCHEMBL3593496 0.88 RORC (0.41) RORCTDP1HSD11B1MEN1KMT2A
SCHEMBL3588564 0.85 LMNA (0.47) HSD11B1MEN1KMT2AMMP2ANPEP
SCHEMBL927334 0.75 RORC (0.49) RORCHSD11B1MEN1KMT2ANR1I2
SCHEMBL4843331 0.75 TDP1 (0.47) TDP1KMT2AMMP2LMNA
SCHEMBL926563 0.72 NPSR1 (0.48) TDP1MEN1KMT2AMMP2ANPEP
SCHEMBL23630340 0.72 KMT2A (0.56) HSD11B1MEN1KMT2AMMP2ANPEP
SCHEMBL926085 0.72 LMNA (0.50) TDP1HSD11B1MEN1KMT2ALMNA
SCHEMBL3591921 0.72 LMNA (0.50) TDP1HSD11B1MEN1KMT2ALMNA
SCHEMBL2519677 0.72 ESR1 (0.56) TDP1MEN1KMT2ARECQLMMP2
SCHEMBL2519672 0.72 ESR1 (0.56) TDP1MEN1KMT2ARECQLMMP2

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-7781481-B2 N-arylsulfonyl-2,3-dihydro-1H-indoles and the use thereof as CCR9 inhibitors NOVARTIS AG (CH) 2010-08-24 US 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
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 191/4885TDP1 1946/4885HSD11B1 1831/4885

“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.