SCHEMBL2239348

SCHEMBL2239348

CCCCCC(N)(O)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FDPS P14324 10/20 0.40
SMPD1 P17405 5/20 0.40
GGPS1 O95749 5/20 0.37

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
SCHEMBL6535584 0.94 FDPS (0.38) FDPSSMPD1
SCHEMBL1251054 0.85 CYP4F2 (0.43)
SCHEMBL28432671 0.83 TDP1 (0.44)
SCHEMBL150072 0.83 FDPS (0.41) FDPSSMPD1GGPS1
SCHEMBL17756699 0.82 CYP4F2 (0.47) FDPSSMPD1GGPS1
SCHEMBL30690424 0.81 DGAT1 (0.35)
SCHEMBL10706328 0.81 SMPD1 (0.43) FDPSSMPD1GGPS1
SCHEMBL29087510 0.81 SMPD1 (0.43) FDPSSMPD1GGPS1
Hydrochloric Acid SCHEMBL2418361 0.81 FDPS (0.40) FDPSSMPD1GGPS1
SCHEMBL25078774 0.81 CYP4F2 (0.50) FDPSSMPD1GGPS1

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 8 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
CN-1142775-A Preparation and use of immunoconjugates IMMUNOMEDICS INC (US) 1997-02-12 CN 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 FDPS 559/4885SMPD1 4/4885GGPS1 388/4885
US-20100260682-A1 Compounds and methods of use thereof for assaying lysophospholipase D activity LYPLAL1, LPCAT3, LPCAT1 FDPS 559/4885SMPD1 4/4885GGPS1 388/4885

“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.