SCHEMBL25099264

SCHEMBL25099264

O=S(=O)(Nc1cccc([C@@H]2CCCN2)n1)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.46
CTPS1 P17812 11/20 0.40
HSD11B1 P28845 1/20 0.38
PARP1 P09874 2/20 0.37
CHRNB2 P17787 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35

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
SCHEMBL24369696 1.00 SCN9A (0.46) SCN9ACTPS1HSD11B1PARP1CHRNB2
SCHEMBL24369439 0.78 CTPS1 (0.41) CTPS1CHRNB2CHRNA4
SCHEMBL24369681 0.78 CTPS1 (0.41) CTPS1CHRNB2CHRNA4
SCHEMBL24369093 0.73 CHRNB2 (0.38) CHRNB2CHRNA4
SCHEMBL25098486 0.72 OPRM1 (0.44) CHRNB2CHRNA7CHRNA4
SCHEMBL24369034 0.71 SCN9A (0.50) SCN9ACTPS1
SCHEMBL16827647 0.71 SCN9A (0.50) SCN9ACTPS1
SCHEMBL29464233 0.71 SCN9A (0.50) SCN9ACTPS1
SCHEMBL18802292 0.71 ALDH1A1 (0.55) SCN9ACTPS1HSD11B1
SCHEMBL18725653 0.71 SCN9A (0.50) SCN9ACTPS1

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-20230077316-A1 CTPS1 INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2023-03-09 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-20230077316-A1 CTPS1 INHIBITORS AND USES THEREOF CTPS1, CTPS2, ECHS1 SCN9A 4544/4885CTPS1 1/4885HSD11B1 673/4885

“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.