SCHEMBL3094290

SCHEMBL3094290

COC[C@H](N)C(=O)Nc1nc(C(=O)OC)c(C(C)C)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ATAD2 Q6PL18 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
CIT O14578 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
XIAP P98170 4/20 0.33
TP53 P04637 1/20 0.33
RORC P51449 1/20 0.33
GLS O94925 1/20 0.33
CYP1A2 P05177 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32
RXFP1 Q9HBX9 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
SCHEMBL5220713 0.90 SMN1; SMN2 (0.36) SMN1; SMN2KDM4EALDH1A1HPGDATAD2
SCHEMBL3088370 0.89 MEN1 (0.39) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL3083725 0.86 POLB (0.38) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL1845956 0.78 PIK3CA (0.45) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL5217650 0.75 XIAP (0.37) NPC1RAB9AALDH1A1ATAD2XIAP
SCHEMBL3092245 0.74 PSEN1 (0.54)
SCHEMBL3083657 0.74 PSEN1 (0.47) SMN1; SMN2NPC1RAB9AGLS
SCHEMBL3098715 0.74 PSEN1 (0.47) SMN1; SMN2NPC1RAB9AGLS
SCHEMBL3095835 0.74 PSEN1 (0.47) SMN1; SMN2NPC1RAB9AGLS
SCHEMBL5218151 0.73 POLB (0.39) ATAD2MEN1POLBKMT2AXIAP

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
US-7795289-B2 Use of acylaminothiazole derivatives as therapeutic agents SANOFI-AVENTIS (FR) 2010-09-14 US disclosed
US-20080051436-A1 Use of Acylaminothiazole Derivatives as Therapeutic Agents SANOFI-AVENTIS (FR) 2008-02-28 US disclosed
US-7291636-B2 Acylaminothiazole derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2007-11-06 US disclosed
US-20050182104-A1 Acylaminothiazole derivatives, preparation and therapeutic use thereof SANOFI-SYNTHELABO (FR) 2005-08-18 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-20080051436-A1 Use of Acylaminothiazole Derivatives as Therapeutic Agents BACE1, BACE2, ATG4A SMN1; SMN2 1047/4885NPC1 3362/4885RAB9A 1660/4885
US-20050182104-A1 Acylaminothiazole derivatives, preparation and therapeutic use thereof BACE1, APP, BACE2 SMN1; SMN2 987/4885NPC1 3147/4885RAB9A 1514/4885

“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.