SCHEMBL3925964

SCHEMBL3925964

N[C@H](CCCCNC(=O)OCc1ccccc1Cl)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.58
NFE2L2 Q16236 3/20 0.58
DPP8 Q6V1X1 3/20 0.52
DPP7 Q9UHL4 3/20 0.52
SLC1A3 P43003 1/20 0.50
SLC1A1 P43005 1/20 0.50
ANPEP P15144 1/20 0.50
SLC1A5 Q15758 1/20 0.49
DPP4 P27487 2/20 0.48
DPP9 Q86TI2 2/20 0.48
FOLH1 Q04609 3/20 0.46
MMP2 P08253 2/20 0.45
MMP9 P14780 2/20 0.45
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL30600458 1.00 KEAP1 (0.58) KEAP1NFE2L2DPP8DPP7SLC1A3
SCHEMBL9331674 1.00 KEAP1 (0.58) KEAP1NFE2L2DPP8DPP7SLC1A3
SCHEMBL4413196 1.00 KEAP1 (0.58) KEAP1NFE2L2DPP8DPP7SLC1A3
SCHEMBL29400837 0.96 KEAP1 (0.57) KEAP1NFE2L2DPP8DPP7SLC1A3
SCHEMBL30600462 0.96 KEAP1 (0.57) KEAP1NFE2L2DPP8DPP7SLC1A3
SCHEMBL4951645 0.94 DPP8 (0.54) KEAP1NFE2L2DPP8DPP7SLC1A3
SCHEMBL17073673 0.91 KEAP1 (0.58) KEAP1NFE2L2DPP8DPP7SLC1A3
SCHEMBL6281421 0.89 DPP8 (0.59) KEAP1NFE2L2DPP8DPP7SLC1A3
SCHEMBL25003569 0.88 KEAP1 (0.56) KEAP1NFE2L2DPP8DPP7SLC1A3
SCHEMBL18541545 0.87 DPP8 (0.53) KEAP1NFE2L2DPP8DPP7SLC1A3

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560227-B2 Biomarkers of vulnerable atherosclerotic plaques and methods of use UNIVERSITY OF MASSACHUSETTS (US) 2009-07-14 US disclosed
US-20070207507-A1 Biomarkers of vulnerable atherosclerotic plaques and methods of use UNIVERSITY OF MASSACHUSETTS (US) 2007-09-06 US disclosed
WO-2006093973-A2 BIOMARKERS OF VULNERABLE A THEROSCLEROTIC PLAQUES AND METHODS OF USE UNIVERSITY OF MASSACHUSETTS (US) 2006-09-08 WO disclosed
WO-2005100382-A1 VERTEBRATE PEPTIDE MODULATORS OF LIPID METABOLISM BLM GROUP, INC. (US) 2005-10-27 WO disclosed
US-20050222040-A1 Vertebrate peptide modulators of lipid metabolism BLM GROUP, INC. (US) 2005-10-06 US disclosed
US-5981580-A IN WHICH THE CARBOXY-TERMINUS HAS BEEN MODIFIED TO FORM VARIOUS AMIDES, ESTERS, KETONES, ALCOHOLS, ALCOHOL ESTERS AND NITRITES THEREOF, AND ARE USEFUL AS SUBSTRATES FOR N-MYRISTOYLTRANSFERASE (NMT) AND/OR ITS ACYL COENZYME G. D. SEARLE & CO. (US) 1999-11-09 US disclosed
US-5952377-A SUBSTRATES FOR N-MYRISTOYLTRANSFERASE (NMT) AND/OR ITS ACYL COENZYME, AS ANTI-VIRAL AND ANTI-FUNGAL AGENTS OR PRO-DRUGS; TREATING AIDS, LENTIVIRUSES SUCH AS THE HUMAN IMMUNODEFICIENCY VIRUS G. D. SEARLE & CO. (US) 1999-09-14 US disclosed
US-5929110-A USEFUL AS SUBSTRATES FOR N-MYRISTOYLTRANSFERASE (NMT) AND/OR ITS ACYL COENZYME, AND AS ANTI-VIRAL AND ANTI-FUNGAL AGENTS OR PRO-DRUGS OF SUCH AGENTS G. D. SEARLE & CO. (US) 1999-07-27 US disclosed
US-5859052-A TREATING LENTIVIRUS INFECTIONS, ESPECIALLY HUMAN IMMUNODEFICIENCY VIRUS G. D. SEARLE & CO. (US) 1999-01-12 US disclosed
US-5744631-A Fatty acid analogs and prodrugs G.D. SEARLE & CO. (US) 1998-04-28 US disclosed
US-5670650-A ANTIVIRAL AND ANTIFUNGAL AGENTS G. D. SEARLE & CO. (US) 1997-09-23 US disclosed
US-5599947-A VIRICIDES, FUNGICIDES OR THEIR PRODRUGS G. D. SEARLE & CO. (US) 1997-02-04 US disclosed
US-5580953-A USEFUL IN THERAPY OF TYPE 2 DIABETES MELLITUS, IMPAIRED GLUCOSE TOLERANCE, OBESITY AND INSULIN RESISTANCE AMYLIN PHARMACEUTICALS, INC. (US) 1996-12-03 US disclosed
US-4127531-A ANALGESIC VETERANS ADMINISTRATION, THE UNITED STATES OF AMERICA AS REPRESENTED BY 1978-11-28 US disclosed
US-4127538-A ANALGESIC VETERANS ADMINISTRATION, THE UNITED STATES OF AMERICA AS REPRESENTED BY 1978-11-28 US disclosed
US-4127526-A ANALGESIC VETERANS ADMINISTRATION, THE UNITED STATES OF AMERICA AS REPRESENTED BY 1978-11-28 US disclosed
US-4127533-A ANALGESIC VETERANS ADMINISTRATION, THE UNITED STATES OF AMERICA AS REPRESENTED BY 1978-11-28 US disclosed
US-4127537-A ANALGESIC VETERANS ADMINISTRATION, THE UNITED STATES OF AMERICA AS REPRESENTED BY 1978-11-28 US disclosed
US-4127522-A ANALGESIC VETERANS ADMINISTRATION, THE UNITED STATES OF AMERICA AS REPRESENTED BY 1978-11-28 US disclosed
US-3937695-A P-Glu-Trp-Ser-Tyr-D-Lys-Leu-Arg-Pro-Gly-NH2 and intermediates AMERICAN HOME PRODUCTS CORPORATION (US) 1976-02-10 US 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-20070207507-A1 Biomarkers of vulnerable atherosclerotic plaques and methods of use CD68, APOB, FABP3 KEAP1 4084/4885NFE2L2 4283/4885DPP8 1214/4885

“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.