SCHEMBL13140441

SCHEMBL13140441

[C-]#[N+]c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.64
▸ HTT P42858 3/20 0.64
▸ CCR9 P51686 8/20 0.53
▸ PGR P06401 1/20 0.52
▸ MAPT P10636 3/20 0.52
▸ TP53 P04637 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ ACLY P53396 1/20 0.49
▸ SLC10A6 Q3KNW5 1/20 0.48
▸ ERBB2 P04626 1/20 0.48
▸ HSP90AA1 P07900 1/20 0.48
▸ HSP90AB1 P08238 1/20 0.48
▸ CCR2 P41597 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ PTK2B Q14289 1/20 0.47

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
SCHEMBL27979 0.86 LMNA (0.83) LMNAHTTCCR9MAPTTP53
SCHEMBL2531458 0.84 LMNA (0.69) LMNAHTTCCR9PGRMAPT
SCHEMBL12032431 0.83 LMNA (0.79) LMNAHTTCCR9PGRMAPT
SCHEMBL28264 0.83 LMNA (0.68) LMNAHTTCCR9PGRMAPT
SCHEMBL28006 0.82 LMNA (0.86) LMNAHTTCCR9MAPTTP53
SCHEMBL2530071 0.81 LMNA (0.74) LMNAHTTCCR9MAPTTP53
SCHEMBL12221343 0.80 CCR9 (0.66) LMNAHTTCCR9PGRMAPT
SCHEMBL3081790 0.80 LMNA (0.67) LMNAHTTCCR9PGRMAPT
SCHEMBL2534050 0.80 LMNA (0.64) LMNAHTTCCR9PGRMAPT
SCHEMBL28518 0.79 LMNA (0.80) LMNAHTTCCR9MAPTTP53

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-20100227902-A1 BIS-ARYL SULFONAMIDES CHEMOCENTRYX, INC. (US) 2010-09-09 — — US disclosed
US-7741519-B2 Bis-aryl sulfonamides CHEMOCENTRYX, INC. (US) 2010-06-22 — — US disclosed
US-20080261966-A1 BIS-ARYL SULFONAMIDES UNGASHE SOLOMON 2008-10-23 — — US disclosed
US-7335653-B2 Chemokine receptor antagonists; CCR9-mediated disorders such as inflammatory and autoimmune diseases CHEMOCENTRYX, INC. (US) 2008-02-26 — — US disclosed
US-20070203131-A1 Bis-aryl sulfonamides CHEMOCENTRYX, INC. 2007-08-30 — — US disclosed
US-7227035-B2 Bis-aryl sulfonamides CHEMOCENTRYX (US) 2007-06-05 — — US 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 (3 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-20100227902-A1 BIS-ARYL SULFONAMIDES CCR2, CXCR2, CCL2 LMNA 4769/4885HTT 3567/4885CCR9 14/4885
US-20070203131-A1 Bis-aryl sulfonamides CCR2, CXCR2, CCL2 LMNA 4769/4885HTT 3567/4885CCR9 14/4885
US-20080261966-A1 BIS-ARYL SULFONAMIDES CCR2, CXCR2, CCL2 LMNA 4769/4885HTT 3567/4885CCR9 14/4885

“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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