SCHEMBL4192438

SCHEMBL4192438

COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 2/20 0.59
▸ L3MBTL1 Q9Y468 2/20 0.57
▸ HPGD P15428 2/20 0.57
▸ MAPT P10636 5/20 0.55
▸ RECQL P46063 1/20 0.55
▸ DUSP3 P51452 1/20 0.55
▸ PTPN5 P54829 1/20 0.55
▸ PTPN11 Q06124 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ ALDH1A1 P00352 3/20 0.51
▸ POLB P06746 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ TDP1 Q9NUW8 1/20 0.50
▸ GUSB P08236 1/20 0.50
▸ AMY1A P0DUB6 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ GLA P06280 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ TNNI3 P19429 1/20 0.46
▸ TNNT2 P45379 1/20 0.46

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
SCHEMBL2241186 0.87 ALPL (0.60) ALPLL3MBTL1HPGDMAPTHTT
SCHEMBL4192436 0.84 ALPL (0.55) ALPLL3MBTL1HPGDMAPTHTT
SCHEMBL4188850 0.81 ALDH1A1 (0.47) ALDH1A1POLBMEN1KMT2ATSHR
SCHEMBL15658709 0.80 GUSB (0.67) ALPLL3MBTL1HPGDMAPTRECQL
SCHEMBL15496620 0.79 L3MBTL1 (0.74) ALPLL3MBTL1HPGDHTTALDH1A1
SCHEMBL4195221 0.79 SLC40A1 (0.64) MAPTALDH1A1LMNATDP1GUSB
SCHEMBL16305322 0.78 ALPL (0.60) ALPLL3MBTL1HPGDHTTALDH1A1
SCHEMBL25754724 0.77 L3MBTL1 (0.61) L3MBTL1HPGDMAPTHTTALDH1A1
SCHEMBL2243891 0.77 ALPL (0.66) ALPLL3MBTL1HPGDMAPTHTT
SCHEMBL2237430 0.77 ALPL (0.66) ALPLL3MBTL1HPGDMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247536-A1 Bissulfonamide Compounds As Agonists Of GalR1, Compositions, And Methods Of Use MJALLI ADNAN M M 2009-10-01 — — US disclosed
US-7582673-B2 Benzo[b]thiophene-2-sulfonic acid [2-(2-chloro-5-trifluoromethylbenzenesulfonylamino)phenyl] amide; agonists of GalR1; useful in treating neuropathic pain or cancer HIGH POINT PHARMACEUTICALS, LLC (US) 2009-09-01 — — US disclosed
EP-1809619-A1 BISSULFONAMIDE COMPOUNDS AS AGONISTS OF GALR1, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2007-07-25 — — EP disclosed
US-20060106089-A1 Bissulfonamide compounds as agonists of GalR1, compositions, and methods of use VTVX HOLDINGS II LLC 2006-05-18 — — US disclosed
WO-2006047302-A1 BISSULFONAMIDE COMPOUNDS AS AGONISTS OF GALR1, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2006-05-04 — — 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 (2 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-20060106089-A1 Bissulfonamide compounds as agonists of GalR1, compositions, and methods of use GALR1, GALR3, GALR2 ALPL 4569/4885L3MBTL1 3641/4885HPGD 3671/4885
US-20090247536-A1 Bissulfonamide Compounds As Agonists Of GalR1, Compositions, And Methods Of Use GALR1, GALR3, GALR2 ALPL 4569/4885L3MBTL1 3641/4885HPGD 3671/4885

“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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