SCHEMBL25536291

SCHEMBL25536291

CC(C)(C)CC(C)(C)c1ccc(S(C)(C)S)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SHBG P04278 1/20 0.55
▸ CYP3A4 P08684 5/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ HIF1A Q16665 3/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ MDH1 P40925 1/20 0.33
▸ MDH2 P40926 1/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ USP2 O75604 3/20 0.33
▸ ESR1 P03372 3/20 0.33
▸ TP53 P04637 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ SLC6A2 P23975 3/20 0.33
▸ SLC6A4 P31645 3/20 0.33
▸ SLC6A3 Q01959 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ KCNH2 Q12809 3/20 0.33
▸ PGR P06401 2/20 0.33
▸ ADORA3 P0DMS8 2/20 0.33
▸ DRD1 P21728 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
SCHEMBL3386524 0.77 SHBG (0.57) SHBGCYP3A4SMN1; SMN2HIF1ACYP2D6
SCHEMBL2037077 0.76 SHBG (0.61) SHBGCYP3A4SMN1; SMN2HIF1ACYP2D6
SCHEMBL9081437 0.76 SHBG (0.61) SHBGCYP3A4SMN1; SMN2HIF1ACYP2D6
SCHEMBL10515698 0.75 SHBG (0.67) SHBGCYP3A4SMN1; SMN2HIF1ACYP2D6
SCHEMBL10736138 0.74 SHBG (0.59) SHBGCYP3A4SMN1; SMN2HIF1ACYP2D6
Potassium Ion SCHEMBL10521541 0.74 SHBG (0.59) SHBGCYP3A4SMN1; SMN2HIF1ACYP2D6
SCHEMBL6537145 0.73 SHBG (0.59) SHBGCYP3A4SMN1; SMN2HIF1ACYP2D6
SCHEMBL10565613 0.73 SHBG (0.53) SHBGCYP3A4SMN1; SMN2HIF1ACYP2D6
SCHEMBL8768818 0.73 SHBG (0.64) SHBGCYP3A4SMN1; SMN2HIF1ACYP2D6
SCHEMBL8743939 0.72 SHBG (0.52) SHBGCYP3A4SMN1; SMN2MAPTMAPK1

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-20230159491-A1 Antimicrobial Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-25 — — 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-20230159491-A1 Antimicrobial Compounds and Methods MPO, NISCH, RPN2 SHBG 4307/4885CYP3A4 2721/4885SMN1; SMN2 4817/4885

“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.

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