SCHEMBL3014425

SCHEMBL3014425

Oc1cccc(-c2cnc3ccccc3c2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BIRC5 O15392 1/20 0.66
MAP4K4 O95819 1/20 0.61
CSNK1G2 P78368 1/20 0.61
CLK4 Q9HAZ1 1/20 0.61
MKNK2 Q9HBH9 1/20 0.61
MAP4K5 Q9Y4K4 1/20 0.61
CYP2A6 P11509 1/20 0.58
HSD17B1 P14061 5/20 0.58
HSD17B2 P37059 5/20 0.58
PDGFRB P09619 3/20 0.57
PDGFRA P16234 3/20 0.57
PIK3CD O00329 2/20 0.55
PIK3CA P42336 2/20 0.55
ESR2 Q92731 4/20 0.53
PIK3CB P42338 1/20 0.51
MTOR P42345 1/20 0.51
PIK3CG P48736 1/20 0.51
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
ESR1 P03372 3/20 0.50

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
SCHEMBL27631118 0.87 BIRC5 (0.77) BIRC5MAP4K4CSNK1G2CLK4MKNK2
SCHEMBL30323720 0.87 BIRC5 (0.77) BIRC5MAP4K4CSNK1G2CLK4MKNK2
SCHEMBL3013447 0.86 ESR2 (0.72) BIRC5MAP4K4CSNK1G2CLK4MKNK2
SCHEMBL5433283 0.85 ESR2 (0.65) BIRC5MAP4K4CSNK1G2CLK4MKNK2
SCHEMBL32667946 0.83 PDGFRB (0.77) BIRC5MAP4K4CSNK1G2CLK4MKNK2
SCHEMBL2772360 0.83 PDGFRB (0.77) BIRC5MAP4K4CSNK1G2CLK4MKNK2
SCHEMBL7554865 0.83 ESR2 (0.67) BIRC5MAP4K4CSNK1G2CLK4MKNK2
SCHEMBL3003119 0.82 ESR2 (0.71) BIRC5MAP4K4CSNK1G2CLK4MKNK2
SCHEMBL708999 0.81 PDGFRB (0.75) BIRC5MAP4K4CSNK1G2CLK4MKNK2
SCHEMBL24621829 0.80 PDGFRB (0.72) BIRC5MAP4K4CSNK1G2CLK4MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546392-B2 17Beta-hydroxysteroid dehydrogenase type 1 inhibitors for the treatment of hormone-related diseases UNIVERSITAET DES SAARLANDES (DE) 2013-10-01 US claimed
US-20100204234-A1 17Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors for the Treatment of Hormone-Related Diseases UNIVERSITAET DES SAARLANDES (DE) 2010-08-12 US claimed
EP-2131826-A2 17BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2009-12-16 EP claimed
WO-2008116920-A2 17BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2008-10-02 WO claimed
US-8546392-B2 17Beta-hydroxysteroid dehydrogenase type 1 inhibitors for the treatment of hormone-related diseases UNIVERSITAET DES SAARLANDES (DE) 2013-10-01 US disclosed
US-8546392-B2 17Beta-hydroxysteroid dehydrogenase type 1 inhibitors for the treatment of hormone-related diseases UNIVERSITAET DES SAARLANDES (DE) 2013-10-01 US disclosed
US-8546392-B2 17Beta-hydroxysteroid dehydrogenase type 1 inhibitors for the treatment of hormone-related diseases UNIVERSITAET DES SAARLANDES (DE) 2013-10-01 US disclosed
US-20100204234-A1 17Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors for the Treatment of Hormone-Related Diseases UNIVERSITAET DES SAARLANDES (DE) 2010-08-12 US disclosed
US-20100204234-A1 17Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors for the Treatment of Hormone-Related Diseases UNIVERSITAET DES SAARLANDES (DE) 2010-08-12 US disclosed
US-20100204234-A1 17Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors for the Treatment of Hormone-Related Diseases UNIVERSITAET DES SAARLANDES (DE) 2010-08-12 US disclosed
EP-2131826-A2 17BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2009-12-16 EP disclosed
WO-2008116920-A2 17BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2008-10-02 WO disclosed
WO-2008116920-A2 17BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2008-10-02 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-20100204234-A1 17Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors for the Treatment of Hormone-Related Diseases HSD17B1, HSD17B11, HSD17B2 BIRC5 2665/4885MAP4K4 3054/4885CSNK1G2 2242/4885

“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.