SCHEMBL682227

SCHEMBL682227

CC(C)OC(=O)[C@@H](C)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
HCAR2 Q8TDS4 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.35
CA12 O43570 7/20 0.33
CA1 P00915 7/20 0.33
CA2 P00918 7/20 0.33
CA9 Q16790 7/20 0.33
CA7 P43166 4/20 0.33
CA14 Q9ULX7 4/20 0.33
LMNA P02545 3/20 0.33
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ADRA1A P35348 1/20 0.32
PDE4D Q08499 1/20 0.32
KDM4E B2RXH2 2/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ABCB1 P08183 1/20 0.31
PDCD1 Q15116 1/20 0.30

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
SCHEMBL5077477 1.00 TSHR (0.48) TSHRHCAR2SMN1; SMN2CA12CA1
SCHEMBL9999821 1.00 TSHR (0.48) TSHRHCAR2SMN1; SMN2CA12CA1
Bromide SCHEMBL28560064 0.97 TSHR (0.46) TSHRHCAR2SMN1; SMN2CA12CA1
SCHEMBL28965299 0.88 TSHR (0.53) TSHRHCAR2SMN1; SMN2CA12CA1
SCHEMBL22267735 0.80 SMN1; SMN2 (0.33) TSHRHCAR2SMN1; SMN2ABCB1
SCHEMBL8019158 0.80 TSHR (0.46) TSHRHCAR2CA12CA1CA2
SCHEMBL8272086 0.78 TSHR (0.43) TSHRHCAR2CA12CA1CA2
SCHEMBL22236616 0.78 TSHR (0.43) TSHRHCAR2CA12CA1CA2
SCHEMBL2246643 0.78 TSHR (0.43) TSHRHCAR2CA12CA1CA2
SCHEMBL19798081 0.78 SMN1; SMN2 (0.32) TSHRHCAR2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180022763-A1 Anti-Viral Compounds ABBVIE INC. (US) 2018-01-25 US disclosed
US-9676797-B2 Anti-viral compounds ABBVIE INC. (US) 2017-06-13 US disclosed
US-20170057981-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-03-02 US disclosed
US-20160083413-A1 2'-CHLORO NUCLEOSIDE ANALOGS FOR HCV INFECTION IDENIX PHARMACEUTICALS LLC 2016-03-24 US disclosed
US-20160002281-A1 D-AMINO ACID COMPOUNDS FOR LIVER DISEASE UNIVERSITE DE MONTPELLIER (FR) 2016-01-07 US disclosed
US-9186440-B2 Polyester implantable medical device with controlled in vivo biodegradability ABBOTT CARDIOVASCULAR SYSTEMS INC. (US) 2015-11-17 US disclosed
US-20140364575-A1 POLYESTER IMPLANTABLE MEDICAL DEVICE WITH CONTROLLED IN VIVO BIODEGRADABILITY ABBOTT CARDIOVASCULAR SYSTEMS (US) 2014-12-11 US disclosed
US-8802126-B2 Polyester implantable medical device with controlled in vivo biodegradability ABBOTT CARDIOVASCULAR SYSTEMS INC. (US) 2014-08-12 US disclosed
WO-2014058801-A1 2'-CHLORO NUCLEOSIDE ANALOGS FOR HCV INFECTION IDENIX PHARMACEUTICALS, INC. (US) 2014-04-17 WO disclosed
WO-2013177219-A1 D-AMINO ACID COMPOUNDS FOR LIVER DISEASE IDENIX PHARMACEUTICALS, INC. (US) 2013-11-28 WO disclosed
US-8323678-B2 Implantable medical devices comprising poly[l-lactide-co-(3,6-dialkyl-1,4-dioxane-2,5-dione)] ABBOTT CARDIOVASCULAR SYSTEMS INC. (US) 2012-12-04 US disclosed
WO-2012040127-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-29 WO disclosed
US-20110270387-A1 Implantable Medical Devices Comprising Poly[L-Lactide-Co-(3,6-Dialkyl-1,4-Dioxane-2,5-Dione)] ABBOTT CARDIOVASCULAR SYSTEMS INC. (US) 2011-11-03 US disclosed
US-20090324670-A1 Polyester Implantable Medical Device With Controlled In Vivo Biodegradability ABBOTT CARDIOVASCULAR SYSTEMS INC. (US) 2009-12-31 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-20170057981-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TSHR 4851/4885HCAR2 4551/4885SMN1; SMN2 4259/4885
US-20090324670-A1 Polyester Implantable Medical Device With Controlled In Vivo Biodegradability MIF, PDE8A, PDE8B TSHR 3709/4885HCAR2 1040/4885SMN1; SMN2 4582/4885
US-20160083413-A1 2'-CHLORO NUCLEOSIDE ANALOGS FOR HCV INFECTION SLC28A2, SLC28A1, SLC29A2 TSHR 4702/4885HCAR2 4483/4885SMN1; SMN2 312/4885
US-20180022763-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TSHR 4851/4885HCAR2 4551/4885SMN1; SMN2 4259/4885
US-20160002281-A1 D-AMINO ACID COMPOUNDS FOR LIVER DISEASE AADAT, BCAT1, BCAT2 TSHR 4546/4885HCAR2 2683/4885SMN1; SMN2 2178/4885

“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.