SCHEMBL5923820

SCHEMBL5923820

CSc1ccc(Nc2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.56
ALDH1A1 P00352 9/20 0.53
KMT2A Q03164 3/20 0.53
MAPT P10636 3/20 0.53
MEN1 O00255 2/20 0.53
ALOX12 P18054 1/20 0.53
MAPK1 P28482 2/20 0.51
AKR1C3 P42330 1/20 0.48
TSHR P16473 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GAA P10253 1/20 0.45
ALOX15 P16050 1/20 0.45
PTGS1 P23219 2/20 0.43

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
SCHEMBL2991047 0.88 PTGS2 (0.67) PTGS2ALDH1A1KMT2AMAPTMEN1
SCHEMBL25667539 0.85 ENPP2 (0.54) KMT2AMEN1GAA
SCHEMBL21440977 0.84 ALDH1A1 (0.47) PTGS2ALDH1A1KMT2AMAPTMEN1
SCHEMBL23918534 0.81 KDM1A (0.52) PTGS2ALDH1A1KMT2AMAPTMEN1
SCHEMBL3245767 0.78 MEN1 (0.58) PTGS2ALDH1A1KMT2AMAPTMEN1
SCHEMBL2877698 0.76 GSK3B (0.59) PTGS2ALDH1A1MAPK1PTGS1
SCHEMBL24065714 0.76 PTGS2 (0.54) PTGS2ALDH1A1KMT2AMAPTMEN1
SCHEMBL24383402 0.74 ENPP2 (0.43)
SCHEMBL5457984 0.74 ENPP2 (0.43) SMN1; SMN2
SCHEMBL14799102 0.74 ALDH1A1 (0.58) ALDH1A1KMT2AMAPTMEN1ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100374416-C P-(sulfonyl)-aryl and heteroaryls amines HOFFMANN LA ROCHE CO LTD (CH) 2008-03-12 CN disclosed
US-20060173075-A1 P-(sulfonyl) aryl and heteroarylamines-as anti-inflammatory agents KRAUSS NANCY E 2006-08-03 US disclosed
US-7071177-B2 P-(sulfonyl) aryl and heteroarylamines as anti-inflammatory agents SYNTEX (U.S.A.) LLC (US) 2006-07-04 US disclosed
CN-1708478-A P-(sulfonyl)-aryl and heteroaryls amines HOFFMANN LA ROCHE (CH) 2005-12-14 CN disclosed
EP-1278723-B1 P-(SULFONYL)-ARYL AND -HETEROARYL AMINES HOFFMANN LA ROCHE (CH) 2005-08-31 EP disclosed
EP-1278723-A2 P-(SULFONYL)-ARYL AND -HETEROARYL AMINES F. HOFFMANN-LA ROCHE AG (CH) 2003-01-29 EP disclosed
US-20020052349-A1 p-(sulfonyl) aryl and heteroarylamines as anti-inflammatory agents SYNTEX (U.S.A.) LLC 2002-05-02 US disclosed
WO-2001083434-A2 P-(SULFONYL)-ARYL AND HETEROARYLS AMINES F. HOFFMANN-LA ROCHE AG (CH) 2001-11-08 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-20060173075-A1 P-(sulfonyl) aryl and heteroarylamines-as anti-inflammatory agents PTGES, P2RX3, P2RX7 PTGS2 12/4885ALDH1A1 974/4885KMT2A 2332/4885
US-20020052349-A1 p-(sulfonyl) aryl and heteroarylamines as anti-inflammatory agents PTGES, P2RX3, P2RX7 PTGS2 14/4885ALDH1A1 804/4885KMT2A 2206/4885

“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.