SCHEMBL4522999

SCHEMBL4522999

CC(=O)Nc1ncc(C(C)=O)s1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 10/20 0.59
CDK2 P24941 10/20 0.59
CDK5 Q00535 1/20 0.59
RAB9A P51151 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 1/20 0.51
CDK4 P11802 4/20 0.48
CDK1 P06493 3/20 0.48
CCNE2 O96020 8/20 0.46
CCND1 P24385 3/20 0.46
CCNB2 O95067 2/20 0.46
CCNB1 P14635 2/20 0.46
CCNB3 Q8WWL7 2/20 0.46
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL186141 0.87 HCAR2 (0.53) CCNE1CDK2CDK5RAB9ASMN1; SMN2
SCHEMBL5216255 0.85 CCNE1 (0.46) CCNE1CDK2CDK5RAB9ASMN1; SMN2
SCHEMBL2370795 0.84 FFAR2 (0.53) CCNE1CDK2CDK5RAB9ASMN1; SMN2
SCHEMBL12715405 0.82 RAB9A (0.60) CCNE1CDK2CDK5RAB9ASMN1; SMN2
SCHEMBL3800102 0.82 CCNE1 (0.54) CCNE1CDK2CDK5RAB9ASMN1; SMN2
SCHEMBL13543136 0.82 SMN1; SMN2 (0.60) CCNE1CDK2CDK5RAB9ASMN1; SMN2
SCHEMBL4523132 0.81 CCNE1 (0.46) CCNE1CDK2CDK5SMN1; SMN2CDK4
Acetic Acid SCHEMBL2691786 0.80 CCNE1 (0.45) CCNE1CDK2CDK5RAB9ASMN1; SMN2
SCHEMBL12715493 0.79 CCNE1 (0.50) CCNE1CDK2CDK5RAB9ASMN1; SMN2
SCHEMBL16113496 0.79 CCNE1 (0.60) CCNE1CDK2CDK5RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180093977-A1 Glycosidase Inhibitors MERCK PATENT GMBH (DE) 2018-04-05 US disclosed
US-9879001-B2 Glycosidase inhibitors MERCK PATENT GMBH (DE) 2018-01-30 US disclosed
US-20160031871-A1 Glycosidase Inhibitors YU HENRY (US) 2016-02-04 US disclosed
US-9150561-B2 Thiazole derivatives and use thereof MERCK SERONO S.A. (CH) 2015-10-06 US disclosed
US-20140228365-A1 THIAZOLE DERIVATIVES AND USE THEREOF MERCK SERONO S.A. (CH) 2014-08-14 US disclosed
US-8802861-B2 Thiazole derivatives and use thereof MERCK SERONO SA (CH) 2014-08-12 US disclosed
US-20090029998-A1 Thiazole Derivatives and Use Thereof APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2009-01-29 US disclosed
EP-1709019-B1 THIAZOLE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS (AN) 2007-08-08 EP disclosed
EP-1709019-A2 THIAZOLE DERIVATIVES AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2006-10-11 EP disclosed
WO-2005068444-A2 THIAZOLE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-07-28 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 (4 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-20160031871-A1 Glycosidase Inhibitors GAA, BACE1, GBA3 CCNE1 1281/4885CDK2 1833/4885CDK5 2208/4885
US-20140228365-A1 THIAZOLE DERIVATIVES AND USE THEREOF PF4, TEC, PDGFRB CCNE1 3914/4885CDK2 3254/4885CDK5 2885/4885
US-20090029998-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC CCNE1 4279/4885CDK2 2811/4885CDK5 2017/4885
US-20180093977-A1 Glycosidase Inhibitors GAA, BACE1, GBA3 CCNE1 1281/4885CDK2 1833/4885CDK5 2208/4885

“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.