SCHEMBL21349201

SCHEMBL21349201

Cc1ccc(S(=O)(=O)n2c3ccccc3n3c4ccccc4nc23)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 5/20 0.66
NOD1 Q9Y239 8/20 0.63
CXCL8 P10145 4/20 0.63
GAA P10253 2/20 0.63
NOD2 Q9HC29 2/20 0.63
ALDH1A1 P00352 3/20 0.59
HTT P42858 2/20 0.59
HPGD P15428 2/20 0.59
HSD17B10 Q99714 1/20 0.59
POLB P06746 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
LMNA P02545 1/20 0.52
SLC9A1 P19634 1/20 0.51
TP53 P04637 1/20 0.51
HSD11B1 P28845 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL15415465 0.79 ALDH3A1 (0.50) ALDH3A1NOD1CXCL8GAANOD2
SCHEMBL29399999 0.77 NOD1 (1.00) ALDH3A1NOD1CXCL8GAANOD2
SCHEMBL10107599 0.77 NOD1 (1.00) ALDH3A1NOD1CXCL8GAANOD2
SCHEMBL28449805 0.77 ALDH3A1 (0.74) ALDH3A1NOD1CXCL8GAANOD2
SCHEMBL8042793 0.77 ALDH3A1 (0.74) ALDH3A1NOD1CXCL8GAANOD2
SCHEMBL28309197 0.76 ALDH3A1 (0.72) ALDH3A1NOD1CXCL8GAANOD2
SCHEMBL19486107 0.73 L3MBTL1 (0.51) ALDH3A1GAANOD2ALDH1A1HTT
SCHEMBL16671930 0.73 NOD1 (0.70) ALDH3A1NOD1CXCL8GAANOD2
SCHEMBL18687118 0.73 ALDH3A1 (0.46) ALDH3A1NOD1CXCL8GAANOD2
SCHEMBL28144731 0.72 ALDH3A1 (0.65) ALDH3A1NOD1CXCL8GAANOD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3762387-B1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-07-12 EP disclosed
US-20210020850-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2021-01-21 US disclosed
WO-2019170691-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-09-12 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-20210020850-A1 COMPOUNDS FOR ELECTRONIC DEVICES SLC1A2, PNMT, SLC18A2 ALDH3A1 1112/4885NOD1 4254/4885CXCL8 1852/4885

“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.