SCHEMBL4192436

SCHEMBL4192436

COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 2/20 0.55
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ LMNA P02545 3/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ MAPT P10636 1/20 0.53
▸ SLC5A1 P13866 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ NCOA1 Q15788 1/20 0.53
▸ NCOA3 Q9Y6Q9 1/20 0.53
▸ CRHBP P24387 1/20 0.53
▸ CRHR2 Q13324 1/20 0.53
▸ KEAP1 Q14145 1/20 0.53
▸ NFE2L2 Q16236 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ POLB P06746 3/20 0.53
▸ KCNMA1 Q12791 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50

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
SCHEMBL4192438 0.84 ALPL (0.59) ALPLMEN1KMT2ALMNASMN1; SMN2
SCHEMBL4188842 0.83 SMN1; SMN2 (0.58) MEN1KMT2ALMNASMN1; SMN2KEAP1
SCHEMBL2241186 0.83 ALPL (0.60) ALPLMEN1KMT2ALMNASMN1; SMN2
SCHEMBL4195217 0.80 SLC40A1 (0.59) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL26931604 0.78 GUSB (0.63) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL5467045 0.77 DDX3X (0.69) MEN1KMT2ALMNAMAPTHTT
SCHEMBL4193378 0.76 SMN1; SMN2 (0.65) MEN1KMT2ALMNASMN1; SMN2HPGD
SCHEMBL15658709 0.76 GUSB (0.67) ALPLMEN1KMT2ALMNASMN1; SMN2
SCHEMBL15496620 0.75 L3MBTL1 (0.74) ALPLMEN1KMT2ASMN1; SMN2HTT
SCHEMBL4188206 0.75 KMT2A (0.61) ALPLMEN1KMT2ASMN1; SMN2ALDH1A1

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 4569/4885MEN1 751/4885KMT2A 2542/4885
US-20090247536-A1 Bissulfonamide Compounds As Agonists Of GalR1, Compositions, And Methods Of Use GALR1, GALR3, GALR2 ALPL 4569/4885MEN1 751/4885KMT2A 2542/4885

“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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