SCHEMBL21296440

SCHEMBL21296440

Cc1ccc(S(=O)(=O)OC(C2CCCCCCCC2)C2CCCCCCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
TSHR P16473 2/20 0.51
CYP3A4 P08684 1/20 0.51
POLB P06746 2/20 0.46
ADORA3 P0DMS8 1/20 0.44
ENPP3 O14638 2/20 0.44
ENPP1 P22413 2/20 0.44
ENPP2 Q13822 2/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.43
KCNH2 Q12809 1/20 0.43
TP53 P04637 3/20 0.41
CYP2D6 P10635 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL6586026 0.87 ALDH1A1 (0.51) ALDH1A1TSHRCYP3A4POLBADORA3
SCHEMBL2754706 0.87 ALDH1A1 (0.51) ALDH1A1TSHRCYP3A4POLBADORA3
SCHEMBL4578793 0.85 ALDH1A1 (0.49) ALDH1A1TSHRCYP3A4POLBADORA3
SCHEMBL14780181 0.82 TSHR (0.45) ALDH1A1TSHRCYP3A4POLBADORA3
SCHEMBL3451996 0.81 TSHR (0.42) ALDH1A1TSHRCYP3A4POLBADORA3
SCHEMBL10279957 0.81 ALDH1A1 (0.46) ALDH1A1TSHRCYP3A4POLBADORA3
SCHEMBL11059576 0.81 ALDH1A1 (0.46) ALDH1A1TSHRCYP3A4POLBADORA3
SCHEMBL7855289 0.81 ALDH1A1 (0.46) ALDH1A1TSHRCYP3A4POLBADORA3
SCHEMBL5437406 0.81 ALDH1A1 (0.46) ALDH1A1TSHRCYP3A4POLBADORA3
SCHEMBL17874040 0.79 TSHR (0.43) ALDH1A1TSHRCYP3A4POLBADORA3

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-20200376130-A1 COMPOUNDS AND METHODS USEFUL IN BRACHYTHERAPY NORTH CAROLINA STATE UNIVERSITY 2020-12-03 US disclosed
WO-2019165171-A2 COMPOUNDS AND METHODS USEFUL IN BRACHYTHERAPY NORTH CAROLINA STATE UNIVERSITY (US) 2019-08-29 WO 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-20200376130-A1 COMPOUNDS AND METHODS USEFUL IN BRACHYTHERAPY FOLH1, DNPEP, UNG ALDH1A1 230/4885TSHR 1681/4885CYP3A4 2884/4885

“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.