SCHEMBL552081

SCHEMBL552081

CCC/C=C\CCCCCCCCCCCCCCCCCCCCC(=O)O

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 5/20 0.84
▸ PPARD Q03181 5/20 0.84
▸ PPARA Q07869 5/20 0.84
▸ F7 P08709 5/20 0.84
▸ F3 P13726 5/20 0.84
▸ TERT O14746 3/20 0.84
▸ PTPN1 P18031 3/20 0.84
▸ HSD17B10 Q99714 3/20 0.84
▸ FABP4 P15090 3/20 0.84
▸ TOP1 P11387 3/20 0.84
▸ MAPT P10636 2/20 0.84
▸ BLM P54132 2/20 0.84
▸ LMNA P02545 2/20 0.84
▸ ALOX15 P16050 2/20 0.84
▸ DUSP3 P51452 2/20 0.84
▸ CYP19A1 P11511 2/20 0.84
▸ PTGS1 P23219 2/20 0.84
▸ NR4A2 P43354 2/20 0.84
▸ SIRT6 Q8N6T7 2/20 0.84
▸ PTPN7 P35236 2/20 0.84

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
SCHEMBL2855222 1.00 PPARG (0.84) PPARGPPARDPPARAF7F3
SCHEMBL2573063 1.00 PPARG (0.84) PPARGPPARDPPARAF7F3
SCHEMBL2574228 1.00 PPARG (0.84) PPARGPPARDPPARAF7F3
SCHEMBL2858103 1.00 PPARG (0.84) PPARGPPARDPPARAF7F3
SCHEMBL2575442 1.00 PPARG (0.84) PPARGPPARDPPARAF7F3
SCHEMBL17048016 1.00 PPARG (0.84) PPARGPPARDPPARAF7F3
SCHEMBL4303654 1.00 PPARG (0.84) PPARGPPARDPPARAF7F3
SCHEMBL808536 1.00 PPARG (0.84) PPARGPPARDPPARAF7F3
SCHEMBL10201666 1.00 PPARG (0.84) PPARGPPARDPPARAF7F3
SCHEMBL2574226 1.00 PPARG (0.84) PPARGPPARDPPARAF7F3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1945651-B1 ANALOGS OF ALPHA GALACTOSYLCERAMIDE AND USES THEREOF LUDWIG INST CANCER RES (US) 2014-06-25 — — EP disclosed
US-8334408-B2 Analogs of alpha galactosylceramide and uses thereof LUDWIG INSTITUTE FOR CANCER RESEARCH (US) 2012-12-18 — — US disclosed
US-20120269857-A1 ANALOGS OF ALPHA GALACTOSYLCERAMIDE AND USES THEREOF LUDWIG INSTITUTE FOR CANCER RESEARCH 2012-10-25 — — US disclosed
US-8188313-B2 Analogs of alpha galactosylceramide and uses thereof THE UNIVERSITY OF BIRMINGHAM (GB) 2012-05-29 — — US disclosed
US-20120034269-A1 ANALOGS OF ALPHA GALACTOSYLCERAMIDE AND USES THEREOF CERUNDOLO VINCENZO (GB) 2012-02-09 — — US disclosed
US-8039670-B2 Analogs of alpha galactosyceramide and uses thereof LUDWIG INSTITUTE FOR CANCER RESEARCH (US) 2011-10-18 — — US disclosed
US-20090239813-A1 Analogs of Alpha Galactosyceramide and Uses thereof LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2009-09-24 — — US disclosed
EP-1945651-A1 ANALOGS OF ALPHA GALACTOSYLCERAMIDE AND USES THEREOF The Ludwig Institute for Cancer Research (US) 2008-07-23 — — EP disclosed
WO-2007050668-A1 ANALOGS OF ALPHA GALACTOSYLCERAMIDE AND USES THEREOF LUDWIG INSTITUTE FOR CANCER RESEARCH (US) 2007-05-03 — — 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 (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-20090239813-A1 Analogs of Alpha Galactosyceramide and Uses thereof SGMS1, CERS2, SGMS2 PPARG 4697/4885PPARD 3803/4885PPARA 4833/4885
US-20120034269-A1 ANALOGS OF ALPHA GALACTOSYLCERAMIDE AND USES THEREOF UGCG, CD69, GALC PPARG 1805/4885PPARD 2716/4885PPARA 2390/4885
US-20120269857-A1 ANALOGS OF ALPHA GALACTOSYLCERAMIDE AND USES THEREOF UGCG, GALC, CD69 PPARG 1809/4885PPARD 2691/4885PPARA 2350/4885

“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.

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