SCHEMBL2622469

SCHEMBL2622469

CC(C)(CCCCCC(=O)CCCCCC(C)(C)COP(=O)(O)O)COP(C)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.37
CPT2 P23786 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMPD1 P17405 3/20 0.34
LPAR3 Q9UBY5 7/20 0.32
ENPP2 Q13822 6/20 0.32
LPAR1 Q92633 5/20 0.32
LPAR2 Q9HBW0 3/20 0.32
LPAR6 P43657 1/20 0.32
LPAR4 Q99677 1/20 0.32
LPAR5 Q9H1C0 1/20 0.32
S1PR4 O95977 2/20 0.31
S1PR1 P21453 2/20 0.31
S1PR3 Q99500 2/20 0.31
S1PR5 Q9H228 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2622472 0.98 FFAR1 (0.34) FFAR1CPT2TDP1SMPD1LPAR3
SCHEMBL6464982 0.94 FFAR1 (0.41) FFAR1CPT2TDP1SMPD1LPAR3
SCHEMBL6467870 0.94 FFAR1 (0.41) FFAR1CPT2TDP1SMPD1LPAR3
SCHEMBL6473864 0.92 FFAR1 (0.40) FFAR1CPT2TDP1SMPD1LPAR3
SCHEMBL6468999 0.92 FFAR1 (0.38) FFAR1CPT2TDP1SMPD1LPAR3
SCHEMBL3279503 0.85 FFAR1 (0.34) FFAR1CPT2TDP1SMPD1LPAR3
SCHEMBL2622474 0.83 LPAR3 (0.40) FFAR1CPT2TDP1SMPD1LPAR3
SCHEMBL6527718 0.82 FFAR1 (0.32) FFAR1CPT2TDP1S1PR4S1PR1
SCHEMBL3280332 0.82 LPAR3 (0.32) FFAR1CPT2TDP1SMPD1LPAR3
SCHEMBL2622473 0.81 LPAR3 (0.37) FFAR1CPT2TDP1SMPD1LPAR3

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
US-9757407-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-09-12 US disclosed
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS UNIV PRINCETON (US) 2016-12-01 US disclosed
US-9029413-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-05-12 US disclosed
US-20130065850-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-03-14 US disclosed
US-8158677-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-04-17 US disclosed
US-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways KADMON CORPORATION, LLC 2009-09-24 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-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways GOT2, MAVS, ME3 FFAR1 2747/4885CPT2 114/4885TDP1 1761/4885
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 FFAR1 2747/4885CPT2 114/4885TDP1 1761/4885
US-20130065850-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 FFAR1 2747/4885CPT2 114/4885TDP1 1761/4885

“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.