SCHEMBL29401167

SCHEMBL29401167

Cc1ccc(S(=O)(=O)n2cnc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.61
TLR2 O60603 1/20 0.51
TLR1 Q15399 1/20 0.51
ALDH1A1 P00352 3/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
PPARA Q07869 3/20 0.44
PPARG P37231 2/20 0.44
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
ACE P12821 1/20 0.41
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
MMP13 P45452 2/20 0.39
PTPN1 P18031 1/20 0.38
BCL2 P10415 1/20 0.37
ALOX5 P09917 1/20 0.37
PTGS2 P35354 1/20 0.37

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
SCHEMBL3912355 1.00 KLK7 (0.61) KLK7TLR2TLR1ALDH1A1TSHR
SCHEMBL7441367 0.92 KLK7 (0.53) KLK7TLR2TLR1ALDH1A1TSHR
SCHEMBL29398857 0.86 KLK7 (0.53) KLK7TLR2TLR1ALDH1A1TSHR
SCHEMBL6163528 0.84 KLK7 (0.56) KLK7TLR2TLR1ALDH1A1TSHR
SCHEMBL3911500 0.84 KLK7 (0.57) KLK7TLR2TLR1ALDH1A1ITGB3
SCHEMBL5709602 0.82 KLK7 (0.51) KLK7TLR2TLR1ALDH1A1TSHR
SCHEMBL9354561 0.81 KLK7 (0.56) KLK7TLR2TLR1ALDH1A1TSHR
SCHEMBL9354881 0.80 KLK7 (0.60) KLK7TLR2TLR1
SCHEMBL1738812 0.80 MDM2 (0.52) KLK7TLR2TLR1
SCHEMBL12059234 0.79 KLK7 (0.54) KLK7TLR2TLR1ALDH1A1TSHR

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
EP-4425181-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE Bertis Inc (KR) 2024-09-04 EP disclosed
US-20240011979-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS INC. (KR) 2024-01-11 US disclosed
CN-116829949-A Compositions for detecting or measuring analytes 伯蒂斯有限公司 2023-09-29 CN disclosed
WO-2023075435-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE 주식회사 베르티스 2023-05-04 WO disclosed
US-20220283131-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS CO., LTD. (KR) 2022-09-08 US disclosed
WO-2022050529-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE ㈜베르티스 2022-03-10 WO disclosed