SCHEMBL3040962

SCHEMBL3040962

N#Cc1ccccc1N(c1cccs1)S(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ HTT P42858 1/20 0.36
▸ MAOA P21397 1/20 0.33
▸ MAPT P10636 2/20 0.31
▸ NPSR1 Q6W5P4 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ CACNA1B Q00975 1/20 0.31
▸ APBA1 Q02410 1/20 0.31
▸ PAX8 Q06710 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ POLB P06746 1/20 0.30

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
SCHEMBL7519732 0.74 TSHR (0.37) KDM4ECYP1A2SMN1; SMN2KMT2AALDH1A1
SCHEMBL5632851 0.64 ALDH1A1 (0.38) SMN1; SMN2KMT2AALDH1A1HTTMAPT
SCHEMBL28830619 0.64 KDM4E (0.40) KDM4ENPSR1LMNA
SCHEMBL17258696 0.63 ALDH1A1 (0.49) KDM4ESMN1; SMN2KMT2AALDH1A1HTT
SCHEMBL29827525 0.62 TSHR (0.48) KDM4ECYP1A2SMN1; SMN2ALDH1A1HTT
SCHEMBL7947579 0.62 ALDH1A1 (0.38) KDM4ECYP1A2SMN1; SMN2KMT2AALDH1A1
SCHEMBL1291364 0.62 ALDH1A1 (0.51) KDM4EKMT2AALDH1A1HTTMAPT
SCHEMBL30468495 0.62 ALDH1A1 (0.51) KDM4EKMT2AALDH1A1HTTMAPT
SCHEMBL21048806 0.61 ALDH1A1 (0.46) KDM4EALDH1A1HTTMAPTPKM
SCHEMBL21048811 0.61 CYP3A4 (0.47) KDM4EALDH1A1HTTMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759390-B2 chemokine receptor 9(CCR9) antagonists such as, 5-Chloro-thiophene-2-sulfonic acid (4-cyano-2-methyl-phenyl)-amide, used for treating autimmune and inflammatory diseases, transplantat rejection and cancer NOVARTIS AG (CH) 2010-07-20 — — US disclosed
US-20080300295-A1 Inhibitors of Ccr9 Activity NOVARTIS AG (CH) 2008-12-04 — — US disclosed
EP-1966182-A1 INHIBITORS OF CCR9 ACTIVITY Novartis AG (CH) 2008-09-10 — — EP disclosed
WO-2007071440-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-20080300295-A1 Inhibitors of Ccr9 Activity CCR9, CCR1, CCR4 KDM4E 2277/4885CYP1A2 1067/4885SMN1; SMN2 2526/4885

“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.

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