SCHEMBL4576504

SCHEMBL4576504

CC(C)(C)OC(=O)COc1ccc(F)cc1Br

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.64
MAPT P10636 5/20 0.52
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
NPC1 O15118 3/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 10/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL12145867 0.89 PKM (0.49) PKMMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL12145826 0.84 SMN1; SMN2 (0.55) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL22396845 0.84 NOTUM (0.48) PKMMAPTKDM4EALDH1A1MEN1
SCHEMBL5007334 0.84 PKM (0.69) PKMMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL1950970 0.83 ALDH1A1 (0.48) PKMMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL12145811 0.83 GAA (0.58) MAPTRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL14277707 0.82 GRM4 (0.51) MAPTRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL5529143 0.81 PKM (0.66) PKMMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL22396839 0.81 PSEN1 (0.41) PKMMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL988409 0.81 POLB (0.47) PKMMAPTRAB9ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273769-B2 Phenoxy acetic acid derivatives MERCK SERONO SA (CH) 2012-09-25 US disclosed
US-8273769-B2 Phenoxy acetic acid derivatives MERCK SERONO SA (CH) 2012-09-25 US disclosed
US-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2011-11-24 US disclosed
US-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2011-11-24 US disclosed
WO-2010092043-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2010-08-19 WO disclosed
US-7317125-B2 Diacylglycerol acyltransferase inhibitors HOFFMAN-LA ROCHE INC. (US) 2008-01-08 US disclosed
US-7317125-B2 Diacylglycerol acyltransferase inhibitors HOFFMAN-LA ROCHE INC. (US) 2008-01-08 US disclosed
US-7317125-B2 Diacylglycerol acyltransferase inhibitors HOFFMAN-LA ROCHE INC. (US) 2008-01-08 US disclosed
EP-1848687-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE (DGAT) F. Hoffmann-Roche AG (CH) 2007-10-31 EP disclosed
US-20060178532-A1 Diacylglycerol acyltransferase inhibitors VIA PHARMACEUTICALS, INC. 2006-08-10 US disclosed
WO-2006082010-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE (DGAT) F.HOFFMANN-LA ROCHE AG (CH) 2006-08-10 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 (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-20060178532-A1 Diacylglycerol acyltransferase inhibitors DGAT2, DGAT1, LCAT PKM 3251/4885MAPT 3748/4885RAB9A 2224/4885
US-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES HRH2, HRH1, HRH3 PKM 2423/4885MAPT 1772/4885RAB9A 2918/4885

“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.