SCHEMBL22013582

SCHEMBL22013582

COC(=O)c1cc(S(N)(=O)=O)nn1Cc1ccc(OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
ALOX15 P16050 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA12 O43570 4/20 0.42
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA9 Q16790 4/20 0.42
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL25033876 0.89 MAPT (0.48) PTGS2MAPTALDH1A1SMN1; SMN2CYP1A2
SCHEMBL28394498 0.86 CA12 (0.41) PTGS2MAPTALDH1A1SMN1; SMN2ALOX15
SCHEMBL1577128 0.83 MAPT (0.51) PTGS2MAPTALDH1A1SMN1; SMN2CYP1A2
SCHEMBL28943191 0.82 MAPT (0.47) PTGS2MAPTALDH1A1SMN1; SMN2CYP1A2
SCHEMBL28702025 0.81 MAPT (0.52) PTGS2MAPTALDH1A1SMN1; SMN2CYP1A2
SCHEMBL21245135 0.81 KDM4E (0.45) PTGS2MAPTALDH1A1SMN1; SMN2CYP1A2
SCHEMBL27974299 0.81 RAB9A (0.60) PTGS2MAPTALDH1A1SMN1; SMN2CYP1A2
SCHEMBL1883985 0.81 SMN1; SMN2 (0.55) PTGS2MAPTALDH1A1SMN1; SMN2CYP1A2
SCHEMBL28943244 0.81 PTGS2 (0.49) PTGS2MAPTALDH1A1SMN1; SMN2GAA
SCHEMBL12675281 0.81 MAPT (0.49) PTGS2MAPTALDH1A1SMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
WO-2020102576-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 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 (1 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-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 PTGS2 1219/4885MAPT 2094/4885ALDH1A1 1999/4885

“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.