SCHEMBL3661631

SCHEMBL3661631

CC(C)(C)SN=C(CCNC(=O)O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
KMT2A Q03164 2/20 0.38
PRSS1 P07477 2/20 0.38
CTSG P08311 2/20 0.38
CTRB1 P17538 2/20 0.38
CMA1 P23946 2/20 0.38
ITGB3 P05106 1/20 0.38
ITGAV P06756 1/20 0.38
ALDH1A1 P00352 4/20 0.37
HPGD P15428 4/20 0.37
ESRRG P62508 1/20 0.37
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL3661629 1.00 NPC1 (0.44) NPC1RAB9APOLBLMNASMN1; SMN2
SCHEMBL22982704 0.69 MAPT (0.58) NPC1RAB9ALMNASMN1; SMN2KMT2A
SCHEMBL10324612 0.68 HDAC8 (0.51) NPC1RAB9APOLBLMNASMN1; SMN2
SCHEMBL10324611 0.68 HDAC8 (0.51) NPC1RAB9APOLBLMNASMN1; SMN2
SCHEMBL10322585 0.67 HDAC8 (0.54) ALDH1A1MAPTGAAL3MBTL1
SCHEMBL10322586 0.67 HDAC8 (0.54) ALDH1A1MAPTGAAL3MBTL1
SCHEMBL321556 0.63 LMNA (0.75) NPC1RAB9APOLBLMNASMN1; SMN2
SCHEMBL7136870 0.63 TDP1 (0.64) NPC1RAB9ALMNASMN1; SMN2KMT2A
SCHEMBL7605013 0.62 SMN1; SMN2 (0.53) NPC1RAB9APOLBLMNASMN1; SMN2
SCHEMBL7143128 0.62 TDP1 (0.68) NPC1RAB9ALMNASMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2220052-B1 CYCLIC UREA INHIBITORS OF 11ß-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2015-03-25 EP disclosed
US-20100324045-A1 CYCLIC UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2010-12-23 US disclosed
EP-2220052-A1 CYCLIC UREA INHIBITORS OF 11 -HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2010-08-25 EP disclosed
WO-2009061498-A1 CYCLIC UREA INHIBITORS OF 11β -HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-05-14 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-20100324045-A1 CYCLIC UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD11B2 NPC1 530/4885RAB9A 3763/4885POLB 1831/4885

“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.