SCHEMBL5117424

SCHEMBL5117424

CC(C)(C)Sc1ccc(C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.49
MAOB P27338 10/20 0.48
MAOA P21397 9/20 0.48
KIF11 P52732 1/20 0.47
CYP2A6 P11509 2/20 0.46
ALDH1A1 P00352 1/20 0.46
SLC6A4 P31645 1/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL4253035 0.81 SLC6A4 (0.44) ARALDH1A1SLC6A4KDM4EHSD17B10
SCHEMBL516309 0.77 ALDH1A1 (0.52) MAOBMAOAKIF11CYP2A6ALDH1A1
SCHEMBL4888690 0.77 SLC22A12 (0.57) MAOBMAOA
SCHEMBL28169917 0.76 MAOB (0.50) ARMAOBMAOAKIF11CYP2A6
SCHEMBL5313238 0.75 AR (0.47) ARMAOBMAOAKIF11TSHR
SCHEMBL7379684 0.74 AR (0.42) ARKIF11SLC6A4KDM4EHSD17B10
SCHEMBL18245275 0.74 SLC6A4 (0.39) ARSLC6A4KDM4EHSD17B10
SCHEMBL1145161 0.73 MAOB (0.54) MAOBMAOAKIF11CYP2A6ALDH1A1
SCHEMBL13319330 0.72 MAOB (0.53) MAOBMAOAKIF11CYP2A6ALDH1A1
SCHEMBL28489628 0.72 AR (0.67) ARMAOBMAOAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108003113-A A kind of synthetic method for treating diabetes medicament 上海工程技术大学 2018-05-08 CN claimed
CN-108003113-A A kind of synthetic method for treating diabetes medicament 上海工程技术大学 2018-05-08 CN disclosed
US-7432268-B2 17β-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases SCHERING CORPORATION (US) 2008-10-07 US disclosed
US-7432268-B2 17β-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases SCHERING CORPORATION (US) 2008-10-07 US disclosed
US-7432268-B2 17β-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases SCHERING CORPORATION (US) 2008-10-07 US disclosed
EP-1423381-B1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 INHIBITORS FOR THE TREATMENT OF ANDROGEN DEPENDENT DISEASES SCHERING CORP (US) 2007-01-03 EP disclosed
EP-1423381-B1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 INHIBITORS FOR THE TREATMENT OF ANDROGEN DEPENDENT DISEASES SCHERING CORP (US) 2007-01-03 EP disclosed
US-7138396-B2 17 β-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases SCHERING CORPORATION (US) 2006-11-21 US disclosed
US-20060069103-A1 17 Beta-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases SCHERING CORPORATION 2006-03-30 US disclosed
US-20060014755-A1 17 Beta-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases MERCK SHARP & DOHME CORP. 2006-01-19 US disclosed
US-6903102-B2 17β-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases SCHERING CORPORATION (US) 2005-06-07 US disclosed
US-20040132736-A1 17 Beta-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases SCHERING CORPORATION 2004-07-08 US disclosed
EP-1423381-A1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 INHIBITORS FOR THE TREATMENT OF ANDROGEN DEPENDENT DISEASES Schering Corporation (US) 2004-06-02 EP disclosed
WO-2003022835-A1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 INHIBITORS FOR THE TREATMENT OF ANDROGEN DEPENDENT DISEASES SCHERING CORPORATION (US) 2003-03-20 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 (3 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-20060069103-A1 17 Beta-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases HSD17B3, HSD17B1, HSD17B11 AR 40/4885MAOB 304/4885MAOA 372/4885
US-20040132736-A1 17 Beta-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases HSD17B3, HSD17B1, HSD17B11 AR 45/4885MAOB 307/4885MAOA 366/4885
US-20060014755-A1 17 Beta-hydroxysteroid dehydrogenase type 3 inhibitors for the treatment of androgen dependent diseases HSD17B3, HSD17B1, HSD17B11 AR 39/4885MAOB 295/4885MAOA 358/4885

“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.