SCHEMBL2835151

SCHEMBL2835151

CC(C)(CO)NC(=O)CCN

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 5/20 0.36
GRK2 P25098 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
RECQL P46063 2/20 0.36
APAF1 O14727 1/20 0.36
DNMT1 P26358 1/20 0.36
PTPN7 P35236 1/20 0.36
BLM P54132 1/20 0.36
PPP1CA P62136 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
PTPN22 Q9Y2R2 1/20 0.36
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
ATM Q13315 2/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL12927515 0.86 ALDH1A1 (0.50) ALDH1A1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL12335916 0.83 ALDH1A1 (0.48) ALDH1A1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL14685701 0.82 RECQL (0.40) ALDH1A1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL619220 0.80 ALDH1A1 (0.55) ALDH1A1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL1302691 0.79 SMN1; SMN2 (0.44) ALDH1A1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL28154673 0.79 ALDH1A1 (0.41) ALDH1A1POLBGRK2L3MBTL1RECQL
SCHEMBL16985021 0.79 ALDH1A1 (0.41) ALDH1A1POLBGRK2L3MBTL1RECQL
SCHEMBL23967240 0.78 ALDH1A1 (0.44) ALDH1A1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL12308384 0.78 ALDH1A1 (0.40) ALDH1A1POLBGRK2L3MBTL1RECQL
SCHEMBL12358389 0.77 HRH3 (0.44) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888546-B1 THIAZOLE DERIVATIVES AND USE THEREOF MERCK SERONO SA (CH) 2015-07-08 EP disclosed
EP-1888546-B1 THIAZOLE DERIVATIVES AND USE THEREOF MERCK SERONO SA (CH) 2015-07-08 EP disclosed
US-7799814-B2 Thiazole derivatives and use thereof MERCK SERONO S.A. (CH) 2010-09-21 US disclosed
US-7799814-B2 Thiazole derivatives and use thereof MERCK SERONO S.A. (CH) 2010-09-21 US disclosed
US-7799814-B2 Thiazole derivatives and use thereof MERCK SERONO S.A. (CH) 2010-09-21 US disclosed
US-20080188531-A1 Ethyl 2'-(acetylamino)-4'-methyl-4,5'-bi-1,3-thiazole-2-carboxylate; autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, bacterial, viral infections, kidney diseases, platelet aggregation, cancer, transplantation, graft rejection or lung injuries LABORATOIRES SERONO SA (CH) 2008-08-07 US disclosed
US-20080188531-A1 Ethyl 2'-(acetylamino)-4'-methyl-4,5'-bi-1,3-thiazole-2-carboxylate; autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, bacterial, viral infections, kidney diseases, platelet aggregation, cancer, transplantation, graft rejection or lung injuries LABORATOIRES SERONO SA (CH) 2008-08-07 US disclosed
US-20080188531-A1 Ethyl 2'-(acetylamino)-4'-methyl-4,5'-bi-1,3-thiazole-2-carboxylate; autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, bacterial, viral infections, kidney diseases, platelet aggregation, cancer, transplantation, graft rejection or lung injuries LABORATOIRES SERONO SA (CH) 2008-08-07 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-20080188531-A1 Ethyl 2'-(acetylamino)-4'-methyl-4,5'-bi-1,3-thiazole-2-carboxylate; autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, bacterial, viral infections, kidney diseases, platelet aggregation, cancer, transplantation, graft rejection or lung injuries PDGFRA, PDGFRB, PF4 ALDH1A1 40/4885NPC1 4299/4885RAB9A 1963/4885

“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.