SCHEMBL4570868

SCHEMBL4570868

CCC(C)NC1CCS(=O)(=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 0.36
EPHX1 P07099 1/20 0.36
POLB P06746 2/20 0.36
HTT P42858 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 2/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
SLC6A4 P31645 1/20 0.31

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
SCHEMBL11197967 0.89 ALDH1A1 (0.47) ALDH1A1MAPTPOLBHTTSMN1; SMN2
SCHEMBL6179650 0.80
SCHEMBL48559 0.80 SLC6A4 (0.41) ALDH1A1EPHX1SMN1; SMN2GAAL3MBTL1
SCHEMBL8224831 0.79 ALDH1A1 (0.41) ALDH1A1MAPTPOLBHTTSMN1; SMN2
SCHEMBL18844900 0.78 EPHX1 (0.35) EPHX1SLC6A4
Ammonia Solution, Strong SCHEMBL2966175 0.78 SLC6A4 (0.40) ALDH1A1EPHX1SMN1; SMN2GAAL3MBTL1
SCHEMBL172339 0.76 EPHX1 (0.50) ALDH1A1EPHX1HTTGAAL3MBTL1
SCHEMBL16937601 0.76 EPHX1 (0.50) ALDH1A1EPHX1HTTGAAL3MBTL1
SCHEMBL14620500 0.76
SCHEMBL172729 0.76 EPHX1 (0.50) ALDH1A1EPHX1HTTGAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090651-B2 Helix 12 directed pharmaceutical products ENDORECHERCHE, INC. (CA) 2015-07-28 US disclosed
US-9090651-B2 Helix 12 directed pharmaceutical products ENDORECHERCHE, INC. (CA) 2015-07-28 US disclosed
US-8168627-B2 Helix 12 directed non-steroidal antiandrogens ENDORECHERCHE, INC. (CA) 2012-05-01 US disclosed
US-8168627-B2 Helix 12 directed non-steroidal antiandrogens ENDORECHERCHE, INC. (CA) 2012-05-01 US disclosed
US-20100227855-A1 HELIX 12 DIRECTED NON-STEROIDAL ANTIANDROGENS ENDORECHERCHE, INC. (CA) 2010-09-09 US disclosed
US-20100227855-A1 HELIX 12 DIRECTED NON-STEROIDAL ANTIANDROGENS ENDORECHERCHE, INC. (CA) 2010-09-09 US disclosed
US-7709516-B2 Helix 12 directed non-steroidal antiandrogens ENDORECHERCHE, INC. (CA) 2010-05-04 US disclosed
US-7709516-B2 Helix 12 directed non-steroidal antiandrogens ENDORECHERCHE, INC. (CA) 2010-05-04 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-20100227855-A1 HELIX 12 DIRECTED NON-STEROIDAL ANTIANDROGENS AR, SHBG, CYP17A1 ALDH1A1 1718/4885MAPT 1110/4885EPHX1 3344/4885

“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.