SCHEMBL2830746

SCHEMBL2830746

CC(C)c1nc(CCNC(=O)O)no1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.38
NPC1 O15118 3/20 0.38
ROCK2 O75116 1/20 0.36
MTNR1A P48039 3/20 0.34
MTNR1B P49286 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
ATM Q13315 1/20 0.32
PDE10A Q9Y233 1/20 0.31
LMNA P02545 1/20 0.31
IDH1 O75874 2/20 0.31

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
SCHEMBL3713266 0.89 RAB9A (0.35) RAB9ANPC1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL27714548 0.86 BMP1 (0.35) RAB9ANPC1ROCK2MTNR1AMTNR1B
SCHEMBL27735562 0.80 HTT (0.44) ALDH1A1HTTLMNA
SCHEMBL3719840 0.79 RAB9A (0.34) RAB9ANPC1SMN1; SMN2MAPK1CYP2D6
SCHEMBL13189174 0.78 HTT (0.33) ROCK2ALDH1A1TAAR1HTTLMNA
SCHEMBL2837212 0.75 RAB9A (0.34) RAB9ANPC1SMN1; SMN2CYP2C19PDE10A
SCHEMBL22916970 0.73 ROCK2 (0.43) RAB9AROCK2MTNR1AMTNR1BSMN1; SMN2
SCHEMBL3710262 0.73 HPGD (0.38) RAB9AROCK2SMN1; SMN2CYP2D6CYP2C19
SCHEMBL11974048 0.72 ALDH1A1 (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1HTT
SCHEMBL4228904 0.72 HSD11B1 (0.39) RAB9ANPC1SMN1; SMN2MAPK1ALDH1A1

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 5 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
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
EP-1888546-A1 THIAZOLE DERIVATIVES AND USE THEREOF LABORATOIRES SERONO S.A. (CH) 2008-02-20 EP disclosed
WO-2006125805-A1 THIAZOLE DERIVATIVES AND USE THEREOF LABORATOIRES SERONO S.A. (CH) 2006-11-30 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-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 RAB9A 1963/4885NPC1 4299/4885ROCK2 2833/4885

“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.