SCHEMBL2108728

SCHEMBL2108728

CCCCCCCCCCC[C@]1(C(=O)O)CO1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.40
PPARG P37231 7/20 0.40
PPARD Q03181 7/20 0.40
PPARA Q07869 7/20 0.40
HDAC11 Q96DB2 5/20 0.40
TSHR P16473 4/20 0.40
PTPN1 P18031 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TLR2 O60603 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
FABP4 P15090 2/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.40
MEN1 O00255 1/20 0.40
ESR1 P03372 1/20 0.40
ALOX15 P16050 1/20 0.40
PDE4A P27815 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE3A Q14432 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL2111331 1.00 GPR84 (0.40) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL2109987 1.00 GPR84 (0.40) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL2110319 1.00 GPR84 (0.40) GPR84PPARGPPARDPPARAHDAC11
Palmoxirate SCHEMBL1579204 1.00 GPR84 (0.40) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL2109983 1.00 GPR84 (0.40) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL2108730 1.00 GPR84 (0.40) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL2110326 1.00 GPR84 (0.40) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL11464015 1.00 GPR84 (0.40) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL2109685 1.00 GPR84 (0.40) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL9586245 1.00 GPR84 (0.40) GPR84PPARGPPARDPPARAHDAC11

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-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-20150139949-A1 ANTI-VIRAL COMBINATION THERAPY KOYUNCU EMRE (US) 2015-05-21 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
EP-2725902-A2 ANTI-VIRAL COMBINATION THERAPY THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2014-05-07 EP disclosed
EP-2581081-A2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-04-17 EP disclosed
EP-2572712-A2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-03-27 EP 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
WO-2012139028-A2 ANTI-VIRAL COMBINATION THERAPY THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-10-11 WO 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
US-6153589-A FOR TREATING VIRAL INFECTIONS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2000-11-28 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 (4 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 GPR84 2601/4885PPARG 2994/4885PPARD 2321/4885
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 GPR84 2601/4885PPARG 2994/4885PPARD 2321/4885
US-20130065850-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 GPR84 2601/4885PPARG 2994/4885PPARD 2321/4885
US-20150139949-A1 ANTI-VIRAL COMBINATION THERAPY HAVCR2, MAVS, ZC3HAV1 GPR84 1432/4885PPARG 3233/4885PPARD 3465/4885

“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.