SCHEMBL24837403

SCHEMBL24837403

CC(C)N1CCC(CS(=N)(=O)C2CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.35
SMYD3 Q9H7B4 3/20 0.33
KCNH2 Q12809 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
F10 P00742 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
SCHEMBL24837285 0.82 HRH3 (0.36) HRH3SMYD3KCNH2LMNAGAA
SCHEMBL24008844 0.80 NCF1 (0.42) HRH3SMYD3
SCHEMBL8242487 0.78 HRH3 (0.38) HRH3SMYD3KCNH2LMNAGAA
SCHEMBL10218778 0.77 HRH3 (0.37) HRH3SMYD3KCNH2LMNAGAA
SCHEMBL20147689 0.75 JAK2 (0.38) HRH3SMYD3KCNH2LMNAGAA
SCHEMBL178291 0.75 HRH3 (0.43) HRH3KCNH2
SCHEMBL24838550 0.72 HRH3 (0.39) HRH3KCNH2LMNAGAAF10
SCHEMBL24837396 0.72 CYP2D6 (0.33) HRH3KCNH2LMNAGAAF10
SCHEMBL24837283 0.71 HTR4 (0.35) HRH3KCNH2LMNAGAAF10
SCHEMBL23384367 0.69 HRH3 (0.37) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11780849-B2 Imino sulfanone inhibitors of ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-20230002406-A1 IMINO SULFANONE INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-01-05 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 (2 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-11780849-B2 Imino sulfanone inhibitors of ENPP1 ENPP1, ENPP3, SMPD1 HRH3 4216/4885SMYD3 847/4885KCNH2 4285/4885
US-20230002406-A1 IMINO SULFANONE INHIBITORS OF ENPP1 ENPP1, ENPP3, SMPD1 HRH3 4216/4885SMYD3 847/4885KCNH2 4285/4885

“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.