SCHEMBL2238230

SCHEMBL2238230

CC(C)(C)ONC(=O)C(Cl)(Cl)Cl

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
DGAT1 O75907 1/20 0.30

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
SCHEMBL24450767 0.79 L3MBTL1 (0.37) L3MBTL1DGAT1
SCHEMBL10924783 0.73 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL27762430 0.71 CA12 (0.31)
SCHEMBL7337965 0.71
SCHEMBL725542 0.70
SCHEMBL4928898 0.70
SCHEMBL151549 0.70
SCHEMBL1756947 0.69
SCHEMBL4689982 0.69
SCHEMBL7327163 0.69 EGFR (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8512971-B2 Compounds and methods of use thereof for assaying lysophospholipase D activity ECHELON BIOSCIENCES, INC. (US) 2013-08-20 US disclosed
US-7989663-B2 Compounds and methods of use thereof for assaying lysophospholipase D activity ECHELON BIOSCIENCES INCORPORATED (US) 2011-08-02 US disclosed
US-20100260682-A1 Compounds and methods of use thereof for assaying lysophospholipase D activity ECHELON BIOSCIENCES INCORPORATED (US) 2010-10-14 US disclosed
US-20090068697-A1 Compounds and methods of use thereof for assaying lysophospholipase D activity ECHELON BIOSCIENCES INCORPORATED (US) 2009-03-12 US disclosed
US-7459285-B2 Compounds and methods of use thereof for assaying lysophospholipase D activity ECHELON BIOSCIENCES INCORPORATED (US) 2008-12-02 US disclosed
US-20040171096-A1 Compounds and methods of use thereof for assaying lysophospholipase D activity ECHELON BIOSCIENCES INCORPORATED 2004-09-02 US disclosed
WO-2004053459-A2 COMPOUNDS AND MEHTODS OF USE THEREOF FOR ASSAYING LYSOPHOSPHOLIPASE D ACTIVITY ECHELON BIOSCIENCES INCORPORATED (US) 2004-06-24 WO disclosed
EP-1034164-B1 SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS MERCK & CO INC (US) 2004-05-19 EP disclosed
US-6645939-B1 Very late antigen-4 (VLA) integrin antagonists; antiallergens, antiasthmatics, and antiinflammatory agents; multiple sclerosis, autoimmune disease treatment MERCK & CO., INC. 2003-11-11 US disclosed
EP-1034164-A4 SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS MERCK & CO INC (US) 2001-07-11 EP disclosed
EP-1034164-A1 SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS Merck & Co., Inc. (US) 2000-09-13 EP disclosed
WO-1999026921-A1 SUBSTITUTED β-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 1999-06-03 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 (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-20090068697-A1 Compounds and methods of use thereof for assaying lysophospholipase D activity LYPLAL1, LPCAT3, LPCAT1 L3MBTL1 417/4885ALDH1A1 2846/4885TP53 3578/4885
US-20100260682-A1 Compounds and methods of use thereof for assaying lysophospholipase D activity LYPLAL1, LPCAT3, LPCAT1 L3MBTL1 417/4885ALDH1A1 2846/4885TP53 3578/4885

“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.