SCHEMBL8555330

SCHEMBL8555330

Cc1cccc(C(=O)Nc2nccs2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.70
HTT P42858 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
RAB9A P51151 9/20 0.69
NPC1 O15118 8/20 0.69
SMN1; SMN2 Q16637 4/20 0.69
KCNK3 O14649 1/20 0.67
KCNK9 Q9NPC2 1/20 0.67
HPGD P15428 1/20 0.67
NPSR1 Q6W5P4 1/20 0.65
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
SCD O00767 1/20 0.62
SIRT2 Q8IXJ6 1/20 0.62
RECQL P46063 1/20 0.61
MAPT P10636 2/20 0.60
POLB P06746 1/20 0.60
ESR2 Q92731 1/20 0.60
HSD17B10 Q99714 1/20 0.60
MAPK1 P28482 1/20 0.60

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
SCHEMBL4285936 0.88 ADORA2A (0.66) TP53HTTL3MBTL1RAB9ANPC1
SCHEMBL14018616 0.85 RAB9A (0.72) TP53L3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL27739695 0.84 NPC1 (0.70) L3MBTL1RAB9ANPC1SMN1; SMN2KCNK3
SCHEMBL7357499 0.83 NPC1 (0.68) L3MBTL1RAB9ANPC1SMN1; SMN2KCNK3
SCHEMBL27760115 0.83 NPC1 (0.68) RAB9ANPC1SMN1; SMN2KCNK3KCNK9
SCHEMBL22348631 0.83 NPC1 (0.69) L3MBTL1RAB9ANPC1SMN1; SMN2KCNK3
SCHEMBL13438742 0.82 NPC1 (0.63) TP53RAB9ANPC1SMN1; SMN2KCNK3
SCHEMBL13462547 0.82 RAB9A (0.70) TP53RAB9ANPC1SMN1; SMN2KCNK3
SCHEMBL30099022 0.82 RAB9A (0.77) L3MBTL1RAB9ANPC1SMN1; SMN2KCNK3
SCHEMBL3223685 0.82 RAB9A (1.00) L3MBTL1RAB9ANPC1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0815108-A1 CYCLIC UREA HIV PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-01-07 EP claimed
US-5683999-A Cyclic urea HIV protease inhibitors THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-11-04 US 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-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
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
EP-0815108-A1 CYCLIC UREA HIV PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-01-07 EP disclosed
US-5683999-A Cyclic urea HIV protease inhibitors THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-11-04 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-20100204234-A1 17Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors for the Treatment of Hormone-Related Diseases HSD17B1, HSD17B11, HSD17B2 TP53 3105/4885HTT 1765/4885L3MBTL1 3385/4885

“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.