SCHEMBL4110330

SCHEMBL4110330

CC(C)CN1C(=O)[C@@H](CC(=O)O)S[C@H](c2ccc(O)cc2Cl)c2cc(Cl)ccc21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 3/20 0.37
TP53 P04637 1/20 0.37
MCL1 Q07820 2/20 0.35
FDFT1 P37268 5/20 0.35
ALDH1A1 P00352 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
CCR4 P51679 1/20 0.33
MEN1 O00255 1/20 0.33
CFTR P13569 1/20 0.33
UBE2I P63279 1/20 0.33
KMT2A Q03164 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
GOPC Q9HD26 1/20 0.33
SAE1 Q9UBE0 1/20 0.33
UBA2 Q9UBT2 1/20 0.33
POLB P06746 1/20 0.32
CCKBR P32239 2/20 0.32
ESR1 P03372 2/20 0.32

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
SCHEMBL8118721 1.00 MDM2 (0.37) MDM2TP53MCL1FDFT1ALDH1A1
SCHEMBL8102100 0.89 FDFT1 (0.41) MDM2TP53FDFT1POLB
SCHEMBL4108650 0.89 FDFT1 (0.41) MDM2TP53FDFT1POLB
SCHEMBL4105250 0.89 FDFT1 (0.44) MDM2TP53FDFT1ALDH1A1POLB
SCHEMBL8102958 0.89 FDFT1 (0.44) MDM2TP53FDFT1ALDH1A1POLB
SCHEMBL8110962 0.88 FDFT1 (0.38) MDM2TP53MCL1FDFT1ALDH1A1
SCHEMBL4104304 0.88 FDFT1 (0.38) MDM2TP53MCL1FDFT1ALDH1A1
SCHEMBL4108524 0.87 FDFT1 (0.41) FDFT1KDM4EHPGDCCR4CCKBR
SCHEMBL8112140 0.87 FDFT1 (0.41) FDFT1KDM4EHPGDCCR4CCKBR
SCHEMBL8117935 0.86 MDM2 (0.39) MDM2TP53MCL1FDFT1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209510-A1 Novel Method of Treating Hyperlipidemia TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-20 US disclosed
US-20090118255-A1 Crp Lowering Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-07 US disclosed
US-20090082333-A1 REMEDY FOR XANTHOMA NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2009-03-26 US disclosed
US-20080132483-A1 Agent for preventing or treating organ functional disorders and organ dysfunction TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-06-05 US disclosed
US-20080113965-A1 Compound having inhibitory activity against squalene synthase or a salt or prodrug thereof, for example, N-[[(3R,5S)-1-(3-acetoxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl]piperidine-4-acetic acid; myalgia or rhabdomyolysis treatment TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-15 US disclosed
US-20080058310-A1 High-density lipoprotein-cholesterol level elevating agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-03-06 US disclosed
EP-1889632-A1 REMEDY FOR XANTHOMA National University Corp. Kobe University (JP) 2008-02-20 EP disclosed
US-20060241096-A1 Agent for preventing or treating organ functional disorders and organ dysfunction SUGIYAMA YASUO 2006-10-26 US disclosed
US-20060052362-A1 Skeletal muscle protecting agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-09 US disclosed
EP-1600166-A1 SKELETAL MUSCLE PROTECTING AGENT Takeda Pharmaceutical Company Limited (JP) 2005-11-30 EP disclosed
US-20040204500-A1 Preventives/remedies for organ functional disorders and organ dysfunction TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-10-14 US disclosed
EP-1407782-A1 PREVENTIVES/REMEDIES FOR ORGAN FUNCTIONAL DISORDERS AND ORGAN DYSFUNCTION Takeda Chemical Industries, Ltd. (JP) 2004-04-14 EP disclosed
US-20040063750-A1 High-density lipoprotein-cholesterol level elevating agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US disclosed
EP-1332763-A1 HIGH-DENSITY LIPOPROTEIN-CHOLESTEROL LEVEL ELEVATING AGENT Takeda Chemical Industries, Ltd. (JP) 2003-08-06 EP disclosed
US-5885979-A SQUALENE SYNTHETASE INHIBITOR TREATING OR PREVENTING HYPERLIPIDEMIA TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-23 US disclosed
EP-0705607-A2 Condensed seven- or eight-membered heterocyclic compounds useful as antihypertriglyceridemic agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-04-10 EP 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 (10 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-20090082333-A1 REMEDY FOR XANTHOMA FDFT1, LSS, SQLE MDM2 4751/4885TP53 3989/4885MCL1 3896/4885
US-20080132483-A1 Agent for preventing or treating organ functional disorders and organ dysfunction FDFT1, SQOR, DHPS MDM2 4207/4885TP53 4413/4885MCL1 4640/4885
US-20040204500-A1 Preventives/remedies for organ functional disorders and organ dysfunction FDFT1, SQOR, DHPS MDM2 3842/4885TP53 3939/4885MCL1 4738/4885
US-20080058310-A1 High-density lipoprotein-cholesterol level elevating agent SREBF1, SREBF2, HDLBP MDM2 4787/4885TP53 4873/4885MCL1 4442/4885
US-20090118255-A1 Crp Lowering Agent SPR, RBP1, HMGCR MDM2 4605/4885TP53 2438/4885MCL1 3485/4885
US-20090209510-A1 Novel Method of Treating Hyperlipidemia HMGCR, LIPC, LIPA MDM2 4722/4885TP53 4872/4885MCL1 4067/4885
US-20080113965-A1 Compound having inhibitory activity against squalene synthase or a salt or prodrug thereof, for example, N-[[(3R,5S)-1-(3-acetoxy-2,2-dimethylpropyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl]piperidine-4-acetic acid; myalgia or rhabdomyolysis treatment SQLE, DHPS, COASY MDM2 4493/4885TP53 4757/4885MCL1 3771/4885
US-20060052362-A1 Skeletal muscle protecting agent GYS1, CPT1B, TNNC1 MDM2 4220/4885TP53 4734/4885MCL1 3845/4885
US-20060241096-A1 Agent for preventing or treating organ functional disorders and organ dysfunction FDFT1, SQOR, DHPS MDM2 4207/4885TP53 4413/4885MCL1 4640/4885
US-20040063750-A1 High-density lipoprotein-cholesterol level elevating agent SREBF1, SREBF2, HDLBP MDM2 4787/4885TP53 4873/4885MCL1 4442/4885

“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.