SCHEMBL3316733

SCHEMBL3316733

O=CCOC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 3/20 0.45
TXNRD1 Q16881 1/20 0.43
ELANE P08246 7/20 0.43
HPGD P15428 1/20 0.41
FEN1 P39748 1/20 0.41
GAA P10253 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
LMNA P02545 2/20 0.39

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
SCHEMBL4439353 0.84 CYP3A4 (0.58) L3MBTL1TDP1MEN1RAB9AKMT2A
Aspartic Acid SCHEMBL7370756 0.83 GRIK1 (0.41) L3MBTL1TDP1MEN1RAB9AKMT2A
SCHEMBL7174243 0.81 L3MBTL1 (0.52) L3MBTL1TDP1MEN1RAB9AKMT2A
SCHEMBL5663870 0.80 CYP3A4 (0.53) L3MBTL1MEN1RAB9AKMT2AALDH1A1
SCHEMBL7288587 0.79 ALDH1A1 (0.50) L3MBTL1TDP1MEN1RAB9AKMT2A
SCHEMBL3487724 0.78 CA12 (0.47) TDP1MEN1RAB9AKMT2AALDH1A1
SCHEMBL3764257 0.77 RAB9A (0.55) L3MBTL1TDP1MEN1RAB9AKMT2A
SCHEMBL21953403 0.77 ALDH1A1 (0.48) L3MBTL1TDP1MEN1RAB9AKMT2A
SCHEMBL8493097 0.77 CA12 (0.66) L3MBTL1TDP1MEN1RAB9AKMT2A
SCHEMBL11927841 0.76 RAB9A (0.54) L3MBTL1TDP1MEN1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0764167-A4 BICYCLING LACTAM INHIBITOR OF INTERLEUKIN-1-BETA CONVERTING ENZYME SANOFI WINTHROP INC (US) 1997-09-17 EP claimed
EP-0764167-A1 BICYCLING LACTAM INHIBITOR OF INTERLEUKIN-1-BETA CONVERTING ENZYME SANOFI WINTHROP, INC. (US) 1997-03-26 EP claimed
WO-1995033751-A1 BICYCLING LACTAM INHIBITOR OF INTERLEUKIN-1-BETA CONVERTING ENZYME SANOFI WINTHROP, INC. (US) 1995-12-14 WO claimed
EP-1660464-B1 CASPASE INHIBITORS CONTAINING ISOXAZOLINE RING LG LIFE SCIENCES LTD (KR) 2015-02-25 EP disclosed
US-20100105681-A1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS LASSOIE MARIE-AGNES 2010-04-29 US disclosed
US-7638630-B2 Very Late Antigen-4 dependent inflammatory disease; asthma, allergic rhinitis, sinusitis, conjunctivitis, food allergy, inflammatory skin disorders, autoimmune disorders, or atherosclerosis, inflammatory skin disorder; methyl 3-[2-(2,6-dichlorophenyl)-6-quinolinyl]-2-hydroxy-2-propenoate UCB PHARMA S.A. (BE) 2009-12-29 US disclosed
US-7557133-B2 Caspase inhibitors containing isoxazoline ring LG LIFE SCIENCES LTD. (KR) 2009-07-07 US disclosed
US-20080064720-A1 2,6-Quinolinyl And 2,6-Naphthyl Derivatives, Processes For Preparing Them And Their Uses As Vla-4 Inhibitors UCB, S.A. (BE) 2008-03-13 US disclosed
US-20060223848-A1 Caspase inhibitors containing isoxazoline ring LG CHEM, LTD. (KR) 2006-10-05 US disclosed
WO-2006033551-A1 CASPASE INHIBITORS CONTAINING DICARBONYLAMINO-ISOXAZOLINE LG LIFE SCIENCES LTD. (KR) 2006-03-30 WO disclosed
US-6576614-B1 Administering methyl ketones or closed hemiketal derivatives of aspartic acid VERTEX PHARMACEUTICALS INCORPORATED 2003-06-10 US disclosed
US-6162828-A IMMUNOLOGY; ANTIINFLAMMATORY AGENTS; ANTITUMOR AGENTS; BONE DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-12-19 US disclosed
US-5985838-A TREATING INFECTIOUS DISEASE, RESPIRATORY DISEASE, INFLAMMATORY CONDITIONS, IMMUNE-BASED DISEASE, AUTO-IMMUNE DISEASE, BONE DISEASE, AND TUMORS VERTEX PHARMACEUTICALS, INC. (US) 1999-11-16 US disclosed
WO-1998024814-A2 N-TERMINALLY MODIFIED POLYPEPTIDE ENZYME INHIBITORS, AND RELATED THERAPEUTIC METHODS AND PHARMACEUTICAL COMPOSITIONS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 1998-06-11 WO disclosed
EP-0820464-A2 CYSTEINE PROTEASE INHIBITOR Takeda Chemical Industries, Ltd. (JP) 1998-01-28 EP disclosed
EP-0764167-A4 BICYCLING LACTAM INHIBITOR OF INTERLEUKIN-1-BETA CONVERTING ENZYME SANOFI WINTHROP INC (US) 1997-09-17 EP disclosed
EP-0764167-A1 BICYCLING LACTAM INHIBITOR OF INTERLEUKIN-1-BETA CONVERTING ENZYME SANOFI WINTHROP, INC. (US) 1997-03-26 EP disclosed
WO-1996030395-A2 CYSTEINE PROTEASE INHIBITOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-03 WO disclosed
WO-1995033751-A1 BICYCLING LACTAM INHIBITOR OF INTERLEUKIN-1-BETA CONVERTING ENZYME SANOFI WINTHROP, INC. (US) 1995-12-14 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 (3 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-20080064720-A1 2,6-Quinolinyl And 2,6-Naphthyl Derivatives, Processes For Preparing Them And Their Uses As Vla-4 Inhibitors VCAM1, HRH4, LTA4H L3MBTL1 4844/4885TDP1 4765/4885MEN1 2106/4885
US-20100105681-A1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS SCN4A, NECTIN4, VPS4B L3MBTL1 4720/4885TDP1 4364/4885MEN1 2979/4885
US-20060223848-A1 Caspase inhibitors containing isoxazoline ring CASP1, CASP7, CASP2 L3MBTL1 2455/4885TDP1 1505/4885MEN1 4843/4885

“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.