SCHEMBL26400809

SCHEMBL26400809

CC(C)CN1CCC2(CC1)CCS(=N)(=O)C2

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 16/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP3A4 P08684 4/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.36
TSHR P16473 2/20 0.36
CYP2C9 P11712 2/20 0.36
PIK3CD O00329 1/20 0.35
USP2 O75604 2/20 0.33
CYP1A2 P05177 2/20 0.33

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
SCHEMBL24008892 0.81 TSHR (0.34) TSHR
SCHEMBL24837454 0.78 CYP2D6 (0.33) CYP2D6
SCHEMBL24008890 0.77 TSHR (0.32) TSHR
SCHEMBL26400807 0.75 CYP2D6 (0.38) CYP2D6SMN1; SMN2CYP3A4TSHRCYP2C9
SCHEMBL25826575 0.75 PIK3CD (0.44) CYP2D6SMN1; SMN2CYP3A4ALDH1A1PIK3CD
SCHEMBL18926689 0.74 CYP2D6 (0.68) CYP2D6SMN1; SMN2CYP3A4ALDH1A1MAPK1
SCHEMBL13683387 0.73 CYP2D6 (0.61) CYP2D6SMN1; SMN2CYP3A4ALDH1A1MAPK1
SCHEMBL14706855 0.72 CYP2D6 (0.66) CYP2D6SMN1; SMN2CYP3A4ALDH1A1MAPK1
SCHEMBL13683386 0.71 CYP2D6 (0.59) CYP2D6SMN1; SMN2CYP3A4ALDH1A1MAPK1
SCHEMBL22477427 0.71 CYP2D6 (0.59) CYP2D6SMN1; SMN2CYP3A4ALDH1A1MAPK1

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-11780849-B2 Imino sulfanone inhibitors of ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-10-10 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-11780849-B2 Imino sulfanone inhibitors of ENPP1 ENPP1, ENPP3, SMPD1 CYP2D6 2442/4885SMN1; SMN2 820/4885CYP3A4 3752/4885

“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.