SCHEMBL433962

SCHEMBL433962

N[C@@H](CCC(=O)N[C@@H](CSCc1ccccc1I)C(=O)NCC(=O)O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.54
▸ GSTK1 Q9Y2Q3 1/20 0.54
▸ GLO1 Q04760 5/20 0.48
▸ LTA4H P09960 2/20 0.38
▸ ABCC1 P33527 1/20 0.36
▸ FOLH1 Q04609 1/20 0.36
▸ NOD1 Q9Y239 2/20 0.35

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
SCHEMBL11867062 0.88 PTGS1 (0.54) PTGS1GSTK1GLO1LTA4HFOLH1
SCHEMBL11867085 0.88 PTGS1 (0.54) PTGS1GSTK1GLO1LTA4HFOLH1
SCHEMBL1683015 0.88 GLO1 (0.45) PTGS1GSTK1GLO1LTA4HFOLH1
SCHEMBL11874436 0.87 GLO1 (0.59) PTGS1GSTK1GLO1LTA4HFOLH1
SCHEMBL5000996 0.87 GLO1 (0.59) PTGS1GSTK1GLO1LTA4HFOLH1
SCHEMBL30249512 0.87 PTGS1 (0.52) PTGS1GSTK1GLO1FOLH1
SCHEMBL19492418 0.85 PTGS1 (0.50) PTGS1GSTK1GLO1
SCHEMBL11863989 0.83 PTGS1 (0.53) PTGS1GSTK1GLO1LTA4H
SCHEMBL11863966 0.83 PTGS1 (0.53) PTGS1GSTK1GLO1LTA4H
SCHEMBL21111836 0.83 PTGS1 (0.53) PTGS1GSTK1GLO1FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 — — US disclosed
US-10877035-B2 Advanced drug development and manufacturing ICAGEN, LLC (US) 2020-12-29 — — US disclosed
EP-2755707-B1 INHALER ASTRAZENECA AB (SE) 2018-11-14 — — EP disclosed
WO-2018204764-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION (US) 2018-11-08 — — WO disclosed
EP-3345644-A1 INHALER Astrazeneca AB (SE) 2018-07-11 — — EP disclosed
EP-2755708-B1 INHALER ASTRAZENECA AB (SE) 2018-05-09 — — EP disclosed
EP-2448623-B1 DISPENSER AND METHOD FOR ENTRAINING POWDER IN AN AIRFLOW ASTRAZENECA AB (SE) 2017-12-20 — — EP disclosed
EP-2341968-B1 A BREATH ACTIVATED INHALER ASTRAZENECA AB (SE) 2017-05-10 — — EP disclosed
EP-2334358-B1 INHALATION DEVICE FOR DISPENSING MEDICAMENT ASTRAZENECA AB (SE) 2016-02-10 — — EP disclosed
US-20150309021-A1 Advanced Drug Development and Manufacturing LOS ALAMOS NATIONAL SECURITY, LLC 2015-10-29 — — US disclosed
WO-2010042036-A1 INHALER WITH AUDIBLE INDICATOR MEANS ASTRAZENECA AB (SE) 2010-04-15 — — WO disclosed
WO-2010042034-A1 A BREATH ACTIVATED INHALER ASTRAZENECA AB (SE) 2010-04-15 — — WO disclosed
WO-2010042033-A1 INHALATION DEVICE AND METHOD OF DISPENSING MEDICAMENT ASTRAZENECA AB (SE) 2010-04-15 — — WO disclosed
WO-2010042035-A1 INHALER WITH INDEXING LINKED TO MOVEMENT OF COVER ASTRAZENECA AB (SE) 2010-04-15 — — WO disclosed
US-20100051027-A1 Entraining Powder In An Airflow ASTRAZENECA AB (SE) 2010-03-04 — — US disclosed
US-20100029732-A1 Combinations of Beta-2-Adrenoceptor Agonistic Benzothiazolone ASTRAZENECA AB (SE) 2010-02-04 — — US disclosed
WO-2009154562-A1 PHARMACEUTICAL COMPOSITION COMPRISING A 4-HYDROXY-2-OXO-2, 3- DIHYDRO-1, 3-BENZOTHIAZOL-7-YL COMPOUND FOR MODULATION OF BETA2-ADRENORECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2009-12-23 — — WO disclosed
WO-2009037503-A2 NEW COMBINATION - 012 FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2009-03-26 — — WO disclosed
US-20080242649-A1 New Combination 665 ASTRAZENECA AB (SE) 2008-10-02 — — US disclosed
US-20080220441-A1 Advanced drug development and manufacturing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 — — 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 (2 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-20080242649-A1 New Combination 665 NR3C2, PTGER2, GRK5 PTGS1 42/4885GSTK1 163/4885GLO1 2444/4885
US-20100029732-A1 Combinations of Beta-2-Adrenoceptor Agonistic Benzothiazolone NR3C2, NR3C1, ARRB1 PTGS1 37/4885GSTK1 116/4885GLO1 2364/4885

“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.

Send feedback