SCHEMBL4650217

SCHEMBL4650217

O=C(O)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(C2CCCCC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.71
SERPINE1 P05121 2/20 0.65
MCL1 Q07820 1/20 0.63
BCL2A1 Q16548 1/20 0.63
ACLY P53396 1/20 0.62
METAP2 P50579 2/20 0.58
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
POLB P06746 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL3984253 0.84 KDM1A (0.69) KDM1AMCL1BCL2A1ACLYMETAP2
SCHEMBL492024 0.84 ACLY (0.81) ACLYMETAP2ALDH1A1
SCHEMBL3979253 0.83 KDM1A (0.67) KDM1AMCL1BCL2A1ACLYMETAP2
SCHEMBL1139356 0.80 ACLY (0.78) ACLYMETAP2
SCHEMBL9164473 0.79 METAP2 (0.85) ACLYMETAP2KMT2A
SCHEMBL419193 0.79 SERPINE1 (1.00) SERPINE1
Hydrochloric Acid SCHEMBL7409073 0.78 METAP2 (0.82) ACLYMETAP2KMT2A
SCHEMBL18151773 0.78 MCL1 (1.00) KDM1AMCL1BCL2A1MEN1ALDH1A1
SCHEMBL21931105 0.77 ACLY (1.00) ACLYMETAP2
SCHEMBL5373446 0.77 LMNA (0.60) KDM1AMEN1ALDH1A1POLBKMT2A

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 KDM1A 2113/4885SERPINE1 890/4885MCL1 3072/4885

“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.