SCHEMBL25033746

SCHEMBL25033746

CN1CCc2sc(S(N)(=O)=O)c(F)c2C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
ADORA1 P30542 3/20 0.37
MEN1 O00255 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
RAD52 P43351 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
ADORA2A P29274 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
CYP2C19 P33261 2/20 0.32
ERN1 O75460 1/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
HTR6 P50406 1/20 0.30
CA12 O43570 1/20 0.30

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
SCHEMBL21962483 0.80 KDM4E (0.33) KMT2AADORA1MEN1KDM4EALDH1A1
SCHEMBL21962780 0.79 KDM4E (0.32) ADORA1KDM4EALDH1A1MAPTRAD52
SCHEMBL25033747 0.79 ADORA2A (0.32) ADORA2AHTR6
SCHEMBL21962410 0.69 CA12 (0.32) CA1CA2CA12CA7
SCHEMBL25796522 0.64 GRM5 (0.45) KMT2AADORA1MEN1KDM4EALDH1A1
SCHEMBL22012060 0.64 CA2 (0.43) KMT2AADORA1MEN1KDM4EALDH1A1
SCHEMBL29229870 0.64 ALDH1A1 (0.52) KMT2AADORA1MEN1KDM4EALDH1A1
SCHEMBL22392265 0.61 ALDH1A1 (0.46) KMT2AADORA1MEN1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL10860793 0.60 KMT2A (0.43) KMT2AADORA1MEN1KDM4EALDH1A1
SCHEMBL17815188 0.60 KCNQ2 (0.40) KMT2AADORA1MEN1KDM4EALDH1A1

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 1 patent. 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

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 KMT2A 4465/4885ADORA1 510/4885MEN1 3277/4885

“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.