SCHEMBL4949517

SCHEMBL4949517

CCCCCCCCCCCCCCOc1ccc(NC(=O)C(CO)NC(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.62
S1PR3 Q99500 4/20 0.62
FAAH O00519 13/20 0.56
GAA P10253 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
SPHK1 Q9NYA1 1/20 0.53
GPR88 Q9GZN0 1/20 0.50

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
SCHEMBL5221042 0.81 FAAH (0.70) S1PR1S1PR3FAAHGAAL3MBTL1
SCHEMBL5218334 0.81 FAAH (0.70) S1PR1S1PR3FAAHGAAL3MBTL1
SCHEMBL5215792 0.81 FAAH (0.70) S1PR1S1PR3FAAHGAAL3MBTL1
SCHEMBL2089631 0.81 FAAH (0.70) S1PR1S1PR3FAAHGAAL3MBTL1
SCHEMBL5223000 0.81 FAAH (0.70) S1PR1S1PR3FAAHGAAL3MBTL1
SCHEMBL5221933 0.81 FAAH (0.70) S1PR1S1PR3FAAHGAAL3MBTL1
SCHEMBL14456478 0.81 S1PR1 (0.77) S1PR1S1PR3FAAHSPHK1
SCHEMBL4984266 0.81 S1PR1 (0.54) S1PR1S1PR3FAAHGAAL3MBTL1
SCHEMBL14521775 0.80 S1PR1 (0.68) S1PR1S1PR3FAAHGAAL3MBTL1
SCHEMBL14521759 0.80 S1PR1 (0.68) S1PR1S1PR3FAAHGAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1918287-A2 LPA receptor agonists and antagonists and methods of use THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) 2008-05-07 EP disclosed
EP-1263752-B1 LPA RECEPTOR AGONISTS AND ANTAGONISTS AND METHODS OF USE UNIV TENNESSEE RES CORP (US) 2007-12-05 EP disclosed
US-20050261252-A1 LPA receptor agonists and antagonists and methods of use MILLER DUANE D 2005-11-24 US disclosed
US-6875757-B2 For therapy of cancer, enhancing cell proliferation, and wound UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2005-04-05 US disclosed
US-20030130237-A1 LPA receptor agonists and antagonists and methods of use MILLER DUANE D (US) 2003-07-10 US disclosed
US-20030027800-A1 LPA receptor agonists and antagonists and methods of use NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-02-06 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 (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-20050261252-A1 LPA receptor agonists and antagonists and methods of use LPAR1, LPAR2, LPAR3 S1PR1 25/4885S1PR3 31/4885FAAH 141/4885
US-20030027800-A1 LPA receptor agonists and antagonists and methods of use LPAR1, LPAR2, LPAR3 S1PR1 25/4885S1PR3 31/4885FAAH 141/4885
US-20030130237-A1 LPA receptor agonists and antagonists and methods of use LPAR1, LPAR2, LPAR5 S1PR1 16/4885S1PR3 24/4885FAAH 107/4885

“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.