SCHEMBL2622474

SCHEMBL2622474

CC(C)(CCCCCOCCCCCC(C)(C)COP(=O)(O)O)COP(C)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 9/20 0.40
LPAR1 Q92633 6/20 0.40
LPAR2 Q9HBW0 6/20 0.40
LPAR5 Q9H1C0 1/20 0.38
S1PR4 O95977 4/20 0.36
S1PR1 P21453 4/20 0.36
S1PR3 Q99500 4/20 0.36
S1PR5 Q9H228 4/20 0.36
SMPD1 P17405 3/20 0.35
FFAR1 O14842 1/20 0.34
CPT2 P23786 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SAT1 P21673 1/20 0.31
S1PR2 O95136 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
SCHEMBL2622473 0.98 LPAR3 (0.37) LPAR3LPAR1LPAR2LPAR5S1PR4
SCHEMBL13953196 0.94 LPAR3 (0.44) LPAR3LPAR1LPAR2LPAR5S1PR4
SCHEMBL13322573 0.92 LPAR3 (0.42) LPAR3LPAR1LPAR2LPAR5S1PR4
SCHEMBL3046352 0.92 LPAR3 (0.41) LPAR3LPAR1LPAR2LPAR5S1PR4
SCHEMBL13322570 0.91 LPAR3 (0.38) LPAR3LPAR1LPAR2LPAR5S1PR4
SCHEMBL13322566 0.91 LPAR3 (0.41) LPAR3LPAR1LPAR2LPAR5S1PR4
SCHEMBL6256820 0.90 LPAR3 (0.40) LPAR3LPAR1LPAR2LPAR5S1PR4
SCHEMBL3030971 0.87 LPAR3 (0.46) LPAR3LPAR1LPAR2LPAR5S1PR4
SCHEMBL13322561 0.87 SMPD1 (0.36) LPAR3LPAR1LPAR2LPAR5SMPD1
SCHEMBL3045508 0.86 LPAR3 (0.39) LPAR3LPAR1LPAR2LPAR5S1PR4

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 LPAR3 4007/4885LPAR1 3684/4885LPAR2 3773/4885
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 LPAR3 4007/4885LPAR1 3684/4885LPAR2 3773/4885
US-20130065850-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 LPAR3 4007/4885LPAR1 3684/4885LPAR2 3773/4885

“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.