SCHEMBL3825201

SCHEMBL3825201

CC(C(=O)OC(C)(C)C)N1CCC(C(=O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
LMNA P02545 1/20 0.41
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.38
BTK Q06187 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
RECQL P46063 1/20 0.36
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN6 P29350 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL16012676 0.82 HSD17B10 (0.41) HSD17B10HRH3KMT2AHPGDBTK
SCHEMBL6991986 0.82 HSD17B10 (0.41) HSD17B10HRH3KMT2AHPGDBTK
SCHEMBL7419074 0.78 HRH3 (0.37) HRH3
SCHEMBL4344525 0.77 HRH3 (0.38) HRH3HPGDRECQLALDH1A1NPC1
SCHEMBL4337458 0.77 HRH3 (0.38) HRH3HPGDRECQLALDH1A1NPC1
SCHEMBL4344528 0.77 HRH3 (0.38) HRH3HPGDRECQLALDH1A1NPC1
SCHEMBL6600488 0.75 SIGMAR1 (0.41) HRH3HPGDSMN1; SMN2
SCHEMBL327357 0.75 PREP (0.40) HSD17B10HRH3KMT2AHPGDSMN1; SMN2
SCHEMBL17025687 0.75 HRH3 (0.35) HRH3LMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL25375745 0.74 KMT2A (0.51) KMT2ABTKTSHRMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018160521-A2 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN Lazuli, Inc. (US) 2018-09-07 WO disclosed
EP-2091534-A1 AZETIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2009-08-26 EP disclosed
US-20080076750-A1 Azetidinone Derivatives and Methods of Use Thereof SCHERING CORPORATION 2008-03-27 US disclosed
WO-2008033465-A1 AZETIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-03-20 WO disclosed
EP-0730454-A4 ANTIARRHYTHMIC BENZODIAZEPINES MERCK & CO INC (US) 2003-06-04 EP disclosed
EP-0907644-A4 PHARMACEUTICAL PREPARATION MERCK & CO INC (US) 2003-02-05 EP disclosed
EP-0907644-A1 PHARMACEUTICAL PREPARATION Merck & Co., Inc. (US) 1999-04-14 EP disclosed
US-5817658-A ADMINISTERING A DIAZEPINE COMPOUND; DISEASES OF THE EAR MERCK & COMPANY, INC. (US) 1998-10-06 US disclosed
US-5776930-A CARDIOVASCULAR DISORDERS MERCK & COMPANY, INC. (US) 1998-07-07 US disclosed
WO-1998000405-A1 PHARMACEUTICAL PREPARATION MERCK & CO., INC. (US) 1998-01-08 WO disclosed
WO-1997049690-A1 A METHOD FOR TREATING MENIERE'S DISEASE MERCK & CO., INC. (US) 1997-12-31 WO disclosed
US-5595990-A TREATMENT OF CARDIOVASCULAR DISORDERS MERCK & CO., INC. (US) 1997-01-21 US disclosed
EP-0730454-A1 ANTIARRHYTHMIC BENZODIAZEPINES MERCK & CO. INC. (US) 1996-09-11 EP disclosed
US-5426185-A Antiarrhythmia agents having reduced side effects MERCK & CO., INC. (US) 1995-06-20 US disclosed
WO-1995014471-A1 ANTIARRHYTHMIC BENZODIAZEPINES MERCK & CO., INC. (US) 1995-06-01 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-20080076750-A1 Azetidinone Derivatives and Methods of Use Thereof LIPC, CES1, ZDHHC20 HSD17B10 70/4885HRH3 2873/4885LMNA 1789/4885

“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.