SCHEMBL5595617

SCHEMBL5595617

O[C@@H]([C@H](O)[C@H]1COC2(CCCCC2)O1)[C@H]1COC2(CCCCC2)O1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
GAA P10253 1/20 0.38
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1B P35368 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
SCHEMBL2757785 1.00 PABPC1 (0.38) PABPC1CTDSP1GAATMEM97SIGMAR1
SCHEMBL15756122 1.00 PABPC1 (0.38) PABPC1CTDSP1GAATMEM97SIGMAR1
SCHEMBL19714170 1.00 PABPC1 (0.38) PABPC1CTDSP1GAATMEM97SIGMAR1
SCHEMBL19714171 1.00 PABPC1 (0.38) PABPC1CTDSP1GAATMEM97SIGMAR1
SCHEMBL2757775 0.92 PABPC1 (0.36) PABPC1CTDSP1GAATMEM97SIGMAR1
SCHEMBL16807931 0.88 PABPC1 (0.38) PABPC1CTDSP1GAATMEM97SIGMAR1
SCHEMBL2757796 0.86 PABPC1 (0.39) PABPC1CTDSP1GAATMEM97SIGMAR1
SCHEMBL1487324 0.84 PABPC1 (0.39) PABPC1CTDSP1GAATMEM97SIGMAR1
SCHEMBL8637706 0.84 PABPC1 (0.39) PABPC1CTDSP1GAATMEM97SIGMAR1
SCHEMBL17801227 0.84 PABPC1 (0.39) PABPC1CTDSP1GAATMEM97SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3271344-B1 PROCESS FOR PREPARING AMINOTETRAHYDROPYRANS FIS FABBRICA ITALIANA SINTETICI SPA (IT) 2020-08-26 EP disclosed
EP-3221317-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-07-22 EP disclosed
EP-3221317-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-07-22 EP disclosed
US-10377732-B2 Process for preparing aminotetrahydropyrans F.I.S.—Fabbrica Italiana Sintetici S.p.A. (IT) 2019-08-13 US disclosed
US-20180290995-A1 Process For Preparing Aminotetrahydropyrans F.I.S. - FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2018-10-11 US disclosed
US-10072011-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2018-09-11 US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US disclosed
WO-2016079710-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 WO disclosed
US-20070123492-A1 Analogs of lysophosphatidic acid and methods of making and using thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-05-31 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 (5 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-10377732-B2 Process for preparing aminotetrahydropyrans DPP4, DPP3, DPP9 PABPC1 1347/4885CTDSP1 2812/4885GAA 792/4885
US-10072011-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 PABPC1 4010/4885CTDSP1 2345/4885GAA 1087/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PABPC1 4010/4885CTDSP1 2345/4885GAA 1087/4885
US-20180290995-A1 Process For Preparing Aminotetrahydropyrans DPP4, DPP3, DPP9 PABPC1 1347/4885CTDSP1 2812/4885GAA 792/4885
US-20070123492-A1 Analogs of lysophosphatidic acid and methods of making and using thereof LPAR4, LPAR2, LPAR5 PABPC1 1772/4885CTDSP1 2724/4885GAA 1145/4885

“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.