SCHEMBL13041357

SCHEMBL13041357

[C-]#[N+]C(C1CCCCC1)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
TSHR P16473 2/20 0.50
CYP3A4 P08684 1/20 0.50
ADORA3 P0DMS8 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.43
KCNH2 Q12809 1/20 0.43
POLB P06746 2/20 0.42
TP53 P04637 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
ACHE P22303 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL29952032 0.98 ALDH1A1 (0.47) ALDH1A1TSHRCYP3A4ADORA3HTT
SCHEMBL29954812 0.95 ALDH1A1 (0.44) ALDH1A1TSHRCYP3A4ADORA3HTT
SCHEMBL29957370 0.92 GAA (0.41) ALDH1A1TSHRCYP3A4HTTGAA
SCHEMBL3636975 0.81 ALDH1A1 (0.52) ALDH1A1HTTGAAPOLBSMN1; SMN2
SCHEMBL5566978 0.79 ALDH1A1 (0.54) ALDH1A1TSHRCYP3A4ADORA3HTT
SCHEMBL6825856 0.77 ALDH1A1 (0.51) ALDH1A1TSHRCYP3A4ADORA3HTT
SCHEMBL19441740 0.77 ALDH1A1 (0.51) ALDH1A1TSHRCYP3A4ADORA3HTT
SCHEMBL5568022 0.75 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4ADORA3HTT
SCHEMBL17446911 0.72 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4ADORA3HTT
SCHEMBL20153642 0.72 ALDH1A1 (0.46) ALDH1A1TSHRCYP3A4ADORA3HTT

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-8765788-B2 Tricyclic inhibitors of hydroxysteroid dehydrogenases AMGEN INC. (US) 2014-07-01 US disclosed
US-20100280073-A1 TRICYCLIC INHIBITORS OF HYDROXYSTEROID DEHYDROGENASES AMGEN INC. (US) 2010-11-04 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-20100280073-A1 TRICYCLIC INHIBITORS OF HYDROXYSTEROID DEHYDROGENASES HSD11B1, HSD3B1, HSD17B1 ALDH1A1 185/4885TSHR 3280/4885CYP3A4 126/4885

“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.