SCHEMBL23320022

SCHEMBL23320022

Cc1csc(C2(C)OCCO2)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
NOS1 P29475 1/20 0.38
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
RAB9A P51151 4/20 0.31
NPC1 O15118 2/20 0.31
FDPS P14324 1/20 0.31
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
GAA P10253 2/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 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
SCHEMBL1166855 0.75 SMN1; SMN2 (0.41) SMN1; SMN2RAB9ANPC1MAPTL3MBTL1
SCHEMBL2507068 0.73 HPGD (0.36) SMN1; SMN2NOS1SLC6A2SLC6A4SLC6A3
SCHEMBL734040 0.71 CNR2 (0.39) SMN1; SMN2NOS1SLC6A2SLC6A4SLC6A3
SCHEMBL735313 0.70 ALDH1A1 (0.33) SMN1; SMN2
SCHEMBL25929714 0.69 SMN1; SMN2 (0.38) SMN1; SMN2NOS1SLC6A2SLC6A4SLC6A3
SCHEMBL25933391 0.69 CNR2 (0.36) SMN1; SMN2NOS1SLC6A2SLC6A4SLC6A3
SCHEMBL25933390 0.69 CNR2 (0.36) SMN1; SMN2NOS1SLC6A2SLC6A4SLC6A3
SCHEMBL15349095 0.69 CNR2 (0.36) SMN1; SMN2NOS1SLC6A2SLC6A4SLC6A3
SCHEMBL15349100 0.69 CNR2 (0.36) SMN1; SMN2NOS1SLC6A2SLC6A4SLC6A3
SCHEMBL5376501 0.68 SMN1; SMN2 (0.40) SMN1; SMN2NOS1SLC6A2SLC6A4SLC6A3

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
US-20220267276-A1 NLRP MODULATORS NOVARTIS INFLAMMASOME RESEARCH, INC. 2022-08-25 US disclosed
EP-3817817-A1 NLRP MODULATORS Novartis AG (CH) 2021-05-12 EP disclosed
CN-112584899-A NLRP modulators 诺华股份有限公司 2021-03-30 CN 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-20220267276-A1 NLRP MODULATORS NLRP1, NRP1, NR4A3 SMN1; SMN2 3669/4885NOS1 2305/4885SLC6A2 1286/4885

“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.