SCHEMBL2021358

SCHEMBL2021358

NNN[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.54
ALPI P09923 1/20 0.53
PKM P14618 1/20 0.53
PTGS1 P23219 1/20 0.53
XIAP P98170 1/20 0.53
SLC7A5 Q01650 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CYP1A2 P05177 1/20 0.52
NAALAD2 Q9Y3Q0 2/20 0.51
MMP2 P08253 4/20 0.50
MMP9 P14780 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
FOLH1 Q04609 1/20 0.50
ADAMTS4 O75173 1/20 0.50
GNPAT O15228 1/20 0.49
CA2 P00918 1/20 0.49

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
SCHEMBL2021357 1.00 MME (0.54) MMEALPIPKMPTGS1XIAP
SCHEMBL157547 0.88 MME (0.61) MMEALPIPKMPTGS1XIAP
SCHEMBL8651835 0.86 SLC7A5 (0.56) MMESLC7A5NAALAD2L3MBTL1FOLH1
SCHEMBL5389540 0.85 MME (0.57) MMEALPIPKMPTGS1XIAP
SCHEMBL5694618 0.85 GNPAT (0.58) MMEALPIPKMPTGS1XIAP
SCHEMBL93439 0.85 GNPAT (0.58) MMEALPIPKMPTGS1XIAP
SCHEMBL93440 0.85 GNPAT (0.58) MMEALPIPKMPTGS1XIAP
SCHEMBL412958 0.85 GNPAT (0.58) MMEALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL27197703 0.83 GNPAT (0.57) MMEALPIPKMPTGS1XIAP
SCHEMBL30566993 0.81 MME (0.56) MMENPSR1CYP1A2NAALAD2MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025096246-A1 SEQUENCE-DEFINED HETEROPOLYMER BACKBONES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-05-08 WO disclosed
CN-118005913-A Block copolymer with cell membrane pore-forming property and preparation method and application thereof 四川大学 2024-05-10 CN disclosed
US-20240124910-A1 RIBOSOME-MEDIATED POLYMERIZATION OF NOVEL CHEMISTRIES NORTHWESTERN UNIVERSITY 2024-04-18 US disclosed
WO-2022173627-A2 RIBOSOME-MEDIATED POLYMERIZATION OF NOVEL CHEMISTRIES NORTHWESTERN UNIVERSITY (US) 2022-08-18 WO disclosed
EP-1740581-B1 2, 4, 6-SUBSTITUTED PYRIDYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2012-08-22 EP disclosed
US-7968571-B2 2,4,6-substituted pyridyl derivative compounds useful as beta-secretase inhibitors for the treatment of Alzheimer's Disease Merck, Sharp & Dohme, Corp. (US) 2011-06-28 US disclosed
EP-1740581-A4 2, 4, 6-SUBSTITUTED PYRIDYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO INC (US) 2008-01-23 EP disclosed
US-20080015233-A1 2,4,6-Substituted Pyridyl Derivative Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease MERCK SHARP & DOHME LLC 2008-01-17 US disclosed
EP-1039804-A4 METHOD FOR TREATING FIBROPROLIFERATIVE DISORDERS BY INHIBITORS OF PROTEIN HYDROXYLATION CORNELL RES FOUNDATION INC (US) 2007-08-08 EP disclosed
EP-1740581-A1 2, 4, 6-SUBSTITUTED PYRIDYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER\"S DISEASE Merck and Co., Inc. (US) 2007-01-10 EP disclosed
EP-0831876-A1 METHOD OF INHIBITING VIRAL REPLICATION IN EUKARYOTIC CELLS AND OF INDUCING APOPTOSIS OF VIRALLY-INFECTED CELLS CORNELL RESEARCH FOUNDATION, INC. (US) 1998-04-01 EP disclosed
EP-0808103-A1 PROTEIN HYDROXYLATION INHIBITORS FOR FIBROPROLIFERATIVE DISORDERS CORNELL RESEARCH FOUNDATION, INC. (US) 1997-11-26 EP disclosed
US-5672681-A Conformationally restricted mimetics of gamma turns and peptides containing the same MOLECUMETICS, LTD. (US) 1997-09-30 US disclosed
US-5670155-A Confomationally restricted mimetics of beta turns and beta bulges and peptides containing the same MOLECUMETICS, LTD. (US) 1997-09-23 US disclosed
WO-1996041639-A1 METHOD OF INHIBITING VIRAL REPLICATION IN EUKARYOTIC CELLS AND OF INDUCING APOPTOSIS OF VIRALLY-INFECTED CELLS CORNELL RESEARCH FOUNDATION, INC. (US) 1996-12-27 WO disclosed
WO-1996022021-A1 PROTEIN HYDROXYLATION INHIBITORS FOR FIBROPROLIFERATIVE DISORDERS CORNELL RESEARCH FOUNDATION, INC. (US) 1996-07-25 WO disclosed
US-5475085-A Unlimited array of peptides having reverse turn mimetics MOLECUMETICS, LTD. (US) 1995-12-12 US disclosed
EP-0656907-A1 CONFORMATIONALLY RESTRICTED MIMETICS OF REVERSE TURNS AND PEPTIDES CONTAINING THE SAME MOLECUMETICS, LTD. (US) 1995-06-14 EP disclosed
WO-1994003494-A1 CONFORMATIONALLY RESTRICTED MIMETICS OF REVERSE TURNS AND PEPTIDES CONTAINING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 1994-02-17 WO disclosed
WO-1993024518-A1 DESIGN AND SYNTHESIS OF A CD4 BETA-TURN MIMETIC FOR INHIBITING THE BINDING OF HIV GP120 THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 1993-12-09 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-20080015233-A1 2,4,6-Substituted Pyridyl Derivative Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease BACE1, BACE2, PSEN2 MME 83/4885ALPI 1309/4885PKM 2803/4885

“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.