SCHEMBL2050325

SCHEMBL2050325

c1csc(C2CCCO2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.40
HSD17B10 Q99714 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 4/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 5/20 0.34
CNR2 P34972 1/20 0.33
USP2 O75604 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
SCN9A Q15858 1/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
HRH1 P35367 1/20 0.32

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
SCHEMBL27766777 0.95 KIF11 (0.37) KIF11HSD17B10SMN1; SMN2GAAL3MBTL1
SCHEMBL4770134 0.77 KIF11 (0.36) KIF11HSD17B10L3MBTL1POLBALDH1A1
SCHEMBL27858991 0.76 PIK3C3 (0.32) KIF11HSD17B10ALDH1A1NOS3NOS2
SCHEMBL29539147 0.76 KIF11 (0.42) KIF11HSD17B10SMN1; SMN2GAAL3MBTL1
SCHEMBL2043681 0.76 KIF11 (0.31) KIF11
SCHEMBL20789355 0.75 ADORA3 (0.31) ADORA3ADORA2AADORA2BADORA1NOS3
SCHEMBL20789277 0.74 NOS3 (0.33) HSD17B10ALDH1A1ADORA3ADORA2AADORA2B
SCHEMBL17376025 0.74 DRD2 (0.39)
SCHEMBL498175 0.73
SCHEMBL17166456 0.71 LRRK2 (0.39) KIF11LRRK2

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
EP-2336315-A2 Enzymatic encoding methods for efficient synthesis of large libraries Nuevolution A/S (DK) 2011-06-22 EP claimed
US-11648245-B2 Heteroaryl-ketone fused azadecalin glucocorticoid receptor modulators CORCEPT THERAPEUTICS, INC. (US) 2023-05-16 US disclosed
US-11576907-B2 Heteroaryl-ketone fused azadecalin glucocorticoid receptor modulators CORCEPT THERAPEUTICS, INC. (US) 2023-02-14 US disclosed
US-20210369701-A1 HETEROARYL-KETONE FUSED AZADECALIN GLUCOCORTICOID RECEPTOR MODULATORS CORCEPT THERAPEUTICS, INC. 2021-12-02 US disclosed
US-20210169872-A1 HETEROARYL-KETONE FUSED AZADECALIN GLUCOCORTICOID RECEPTOR MODULATORS CORCEPT THERAPEUTICS, INC. 2021-06-10 US disclosed
US-10973813-B2 Heteroaryl-ketone fused azadecalin glucocorticoid receptor modulators CORCEPT THERAPEUTICS, INC. (US) 2021-04-13 US disclosed
US-9956216-B2 Heteroaryl-ketone fused azadecalin glucocorticoid receptor modulators CORCEPT THERAPEUTICS, INC. (US) 2018-05-01 US disclosed
US-20170273972-A1 HETEROARYL-KETONE FUSED AZADECALIN GLUCOCORTICOID RECEPTOR MODULATORS CORCEPT THERAPEUTICS, INC. 2017-09-28 US disclosed
US-9707223-B2 Heteroaryl-ketone fused azadecalin glucocorticoid receptor modulators CORCEPT THERAPEUTICS, INC. (US) 2017-07-18 US disclosed
US-20170020860-A1 HETEROARYL-KETONE FUSED AZADECALIN GLUCOCORTICOID RECEPTOR MODULATORS CORCEPT THERAPEUTICS, INC. 2017-01-26 US disclosed
US-9273047-B2 Heteroaryl-ketone fused azadecalin glucocorticoid receptor modulators CORCEPT THERAPEUTICS, INC. (US) 2016-03-01 US disclosed
US-20150080389-A1 HETEROARYL-KETONE FUSED AZADECALIN GLUCOCORTICOID RECEPTOR MODULATORS CORCEPT THERAPEUTICS, INC. 2015-03-19 US disclosed
CN-101848897-A Gamma secretase modulators SCHERING CORP 2010-09-29 CN 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 (8 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-20210169872-A1 HETEROARYL-KETONE FUSED AZADECALIN GLUCOCORTICOID RECEPTOR MODULATORS NR3C1, NR3C2, NR5A1 KIF11 2788/4885HSD17B10 132/4885SMN1; SMN2 4873/4885
US-11648245-B2 Heteroaryl-ketone fused azadecalin glucocorticoid receptor modulators NR3C1, GRIN3A, NR3C2 KIF11 1634/4885HSD17B10 301/4885SMN1; SMN2 181/4885
US-20170020860-A1 HETEROARYL-KETONE FUSED AZADECALIN GLUCOCORTICOID RECEPTOR MODULATORS NR3C1, NR3C2, NR5A1 KIF11 2788/4885HSD17B10 132/4885SMN1; SMN2 4873/4885
US-20210369701-A1 HETEROARYL-KETONE FUSED AZADECALIN GLUCOCORTICOID RECEPTOR MODULATORS NR3C1, GRIN3A, NR3C2 KIF11 1634/4885HSD17B10 301/4885SMN1; SMN2 181/4885
US-10973813-B2 Heteroaryl-ketone fused azadecalin glucocorticoid receptor modulators NR3C1, NR3C2, NR5A1 KIF11 2788/4885HSD17B10 132/4885SMN1; SMN2 4873/4885
US-20170273972-A1 HETEROARYL-KETONE FUSED AZADECALIN GLUCOCORTICOID RECEPTOR MODULATORS NR3C1, NR3C2, NR5A1 KIF11 2788/4885HSD17B10 132/4885SMN1; SMN2 4873/4885
US-11576907-B2 Heteroaryl-ketone fused azadecalin glucocorticoid receptor modulators NR3C1, NR3C2, NR5A1 KIF11 2788/4885HSD17B10 132/4885SMN1; SMN2 4873/4885
US-20150080389-A1 HETEROARYL-KETONE FUSED AZADECALIN GLUCOCORTICOID RECEPTOR MODULATORS NR3C1, NR3C2, NR5A1 KIF11 2788/4885HSD17B10 132/4885SMN1; SMN2 4873/4885

“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.