SCHEMBL3021168

SCHEMBL3021168

COc1cccc(-c2ccc3c(C(=O)Nc4nccs4)c(OC)ccc3c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.60
HSD17B2 P37059 1/20 0.60
SIRT2 Q8IXJ6 1/20 0.55
RAB9A P51151 7/20 0.53
NPC1 O15118 6/20 0.53
SMN1; SMN2 Q16637 5/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 3/20 0.51
HPGD P15428 3/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 2/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TAAR1 Q96RJ0 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MAPK1 P28482 1/20 0.51
HPGDS O60760 1/20 0.50
KDR P35968 1/20 0.49
MGAM O43451 1/20 0.49

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
SCHEMBL13210870 0.85 HSD17B1 (0.51) HSD17B1HSD17B2SIRT2MAPT
SCHEMBL3016129 0.83 TP53 (0.61) HSD17B1HSD17B2RAB9ANPC1SMN1; SMN2
SCHEMBL3015227 0.81 TRPV1 (0.55) HSD17B1HSD17B2RAB9ANPC1SMN1; SMN2
SCHEMBL3014831 0.81 PLAU (0.57) HSD17B1HSD17B2RAB9ANPC1SMN1; SMN2
SCHEMBL3015172 0.80 HSD17B1 (0.67) HSD17B1HSD17B2SIRT2MAPT
SCHEMBL3019201 0.80 ALDH1A1 (0.57) SIRT2RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL16078340 0.77 RAB9A (0.64) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL3020440 0.77 SIRT2 (0.57) HSD17B1HSD17B2SIRT2RAB9ANPC1
SCHEMBL3015306 0.77 SIRT2 (0.47) HSD17B1HSD17B2SIRT2MAPTHPGD
SCHEMBL3015936 0.77 HSD17B1 (0.56) HSD17B1HSD17B2HPGDLMNAALDH1A1

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 11 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 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
US-20100004159-A1 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATIONS AND USES GENFIT (FR) 2010-01-07 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
US-6197802-B1 FOR AGRICULTURE AMERICAN CYANAMID CO. 2001-03-06 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 (2 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 HSD17B1 1/4885HSD17B2 3/4885SIRT2 1030/4885
US-20100004159-A1 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATIONS AND USES IPO5, PPIP5K2, IPO4 HSD17B1 1384/4885HSD17B2 961/4885SIRT2 452/4885

“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.