SCHEMBL22012201

SCHEMBL22012201

CCc1ccc(S(=N)(N)=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.69
GAA P10253 1/20 0.47
UCHL1 P09936 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PSIP1 O75475 1/20 0.45
CA1 P00915 7/20 0.44
CA12 O43570 6/20 0.44
CA9 Q16790 5/20 0.44
CA7 P43166 4/20 0.43
CA4 P22748 3/20 0.43
CA6 P23280 3/20 0.43
CA5A P35218 3/20 0.43
CA14 Q9ULX7 3/20 0.43
CA5B Q9Y2D0 3/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 2/20 0.42

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
SCHEMBL635526 0.82 CA2 (1.00) CA2GAASMN1; SMN2CA1CA12
SCHEMBL24129426 0.80 CA2 (0.59) CA2GAAUCHL1SMN1; SMN2PSIP1
SCHEMBL23554860 0.80 CA2 (0.59) CA2GAAUCHL1SMN1; SMN2PSIP1
SCHEMBL12309787 0.78 CA2 (0.69) CA2GAAUCHL1SMN1; SMN2PSIP1
SCHEMBL20698828 0.78 HRH3 (0.48) CA2SMN1; SMN2CA1CA12CA9
SCHEMBL20692306 0.78 ALDH1A1 (0.54) CA2SMN1; SMN2CA1CA12CA9
SCHEMBL6038843 0.77 CA2 (0.61) CA2UCHL1SMN1; SMN2PSIP1KMT2A
SCHEMBL23512338 0.77 CA2 (0.88) CA2GAAUCHL1SMN1; SMN2CA1
SCHEMBL678812 0.77 CA2 (0.67) CA2GAAUCHL1PSIP1KMT2A
SCHEMBL24129791 0.76 CA2 (0.55) CA2GAAUCHL1SMN1; SMN2PSIP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023220402-A1 ENPP1 MODULATORS AND PRODUCTS AND USES THEREOF GOSSAMER BIO SERVICES, INC. (US) 2023-11-16 WO disclosed
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
WO-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO 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 CA2 1210/4885GAA 1470/4885UCHL1 4803/4885

“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.