SCHEMBL4424347

SCHEMBL4424347

O=S(=O)(O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[CaH2]

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
PDE4A P27815 1/20 0.39
USP2 O75604 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
MGAM O43451 2/20 0.35
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL1403818 0.98 LMNA (0.48) LMNAL3MBTL1TDP1PDE4AUSP2
SCHEMBL3227829 0.98 LMNA (0.48) LMNAL3MBTL1TDP1PDE4AUSP2
SCHEMBL3009609 0.98 LMNA (0.48) LMNAL3MBTL1TDP1PDE4AUSP2
SCHEMBL5667760 0.96 LMNA (0.46) LMNAL3MBTL1TDP1PDE4AUSP2
SCHEMBL18585305 0.96 TDP1 (0.50) LMNAL3MBTL1TDP1PDE4AUSP2
SCHEMBL18585898 0.94 LMNA (0.42) LMNAL3MBTL1TDP1PDE4AUSP2
Ammonia Solution, Strong SCHEMBL15994055 0.92 LMNA (0.40) LMNAL3MBTL1TDP1PDE4AUSP2
SCHEMBL17571074 0.85 LMNA (0.33) LMNAL3MBTL1TDP1
SCHEMBL18585575 0.85 LMNA (0.33) LMNAL3MBTL1TDP1
SCHEMBL3748924 0.83 USP2 (0.36) LMNAL3MBTL1TDP1PDE4AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3223613-B1 4-FLUORO-THIO-CONTAINING INHIBITORS OF APP2, COMPOSITIONS THEREOF AND METHOD OF USE SIMMONS WILLIAM H (US) 2019-09-04 EP disclosed
EP-3223613-A1 4-FLUORO-THIO-CONTAINING INHIBITORS OF APP2, COMPOSITIONS THEREOF AND METHOD OF USE Simmons, William H. (US) 2017-10-04 EP disclosed
WO-2016085530-A1 4-FLUORO-THIO-CONTAINING INHIBITORS OF APP2, COMPOSITIONS THEREOF AND METHOD OF USE SIMMONS WILLIAM H (US) 2016-06-02 WO disclosed
US-9212206-B1 4-Fluoro-Thio-containing inhibitors of APP2, compositions thereof and method of use SIMMONS WILLIAM H (US) 2015-12-15 US disclosed
EP-1924275-B1 THIO-CONTAINING INHIBITORS OF AMINOPEPTIDASE P, COMPOSITIONS THEREOF AND METHOD OF USE SIMMONS WILLIAM H (US) 2012-08-08 EP disclosed
EP-1924275-A4 THIO-CONTAINING INHIBITORS OF AMINOPEPTIDASE P, COMPOSITIONS THEREOF AND METHOD OF USE SIMMONS WILLIAM H (US) 2009-07-29 EP disclosed
US-7390789-B2 Thio-containing inhibitors of aminopeptidase P, and compositions thereof SIMMONS WILLIAM H 2008-06-24 US disclosed
EP-1924275-A2 THIO-CONTAINING INHIBITORS OF AMINOPEPTIDASE P, COMPOSITIONS THEREOF AND METHOD OF USE Simmons, William H. (US) 2008-05-28 EP disclosed
WO-2007032887-A2 THIO-CONTAINING INHIBITORS OF AMINOPEPTIDASE P, COMPOSITIONS THEREOF AND METHOD OF USE SIMMONS WILLIAM H (US) 2007-03-22 WO disclosed
US-20070060525-A1 Thio-containing inhibitors of aminopeptidase P, compositions thereof and method of use SIMMONS WILLIAM H 2007-03-15 US disclosed
EP-0378765-A1 Antagonists of leukotriene D4 G.D. Searle & Co. (US) 1990-07-25 EP disclosed
EP-0379191-A1 1,3-Dioxolane benzoic acids and derivatives thereof G.D. Searle & Co. (US) 1990-07-25 EP disclosed
EP-0342664-A2 2,2-disubstituted benzopyran leukotriene-D4 antagonists G.D. Searle & Co. (US) 1989-11-23 EP disclosed
US-4870098-A ANTIALLERGY, ANTIINFLAMMATORY G. D. SEARLE & CO. (US) 1989-09-26 US disclosed
US-4855324-A ANTIINFLAMMATORY AGENTS G. D. SEARLE & CO. (US) 1989-08-08 US disclosed
EP-0319900-A2 Furyl, phenylene and thienyl leukotriene B4 analogues G.D. Searle & Co. (US) 1989-06-14 EP disclosed
EP-0308956-A2 Leukotriene LTD4 and LTB4 antagonists G.D. Searle & Co. (US) 1989-03-29 EP disclosed
US-4808729-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS G. D. SEARLE & CO. (US) 1989-02-28 US disclosed
EP-0300404-A2 Di-and tetrahydronapthyl anti-allergy agents G.D. Searle & Co. (US) 1989-01-25 EP disclosed
US-4791133-A ANTIINFLAMMATORY AGENTS G. D. SEARLE & CO. (US) 1988-12-13 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-20070060525-A1 Thio-containing inhibitors of aminopeptidase P, compositions thereof and method of use ACE, DNPEP, APP LMNA 2230/4885L3MBTL1 3545/4885TDP1 1042/4885

“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.