SCHEMBL18327240

SCHEMBL18327240

CC(C)C(CC(=O)O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGD P52209 2/20 0.35
SLC22A6 Q4U2R8 1/20 0.33
CACNA2D1 P54289 2/20 0.32
ADRA1A P35348 2/20 0.32
CACNB3 P54284 1/20 0.32
CACNA1C Q13936 1/20 0.32
PGR P06401 1/20 0.32
HTR2B P41595 1/20 0.32
CACNA2D2 Q9NY47 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP2D6 P10635 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL2873742 0.77 PGD (0.37) PGDSLC22A6CACNA2D1ADRA1ACACNB3
SCHEMBL8245161 0.77 PGD (0.37) PGDSLC22A6CACNA2D1ADRA1ACACNB3
SCHEMBL16342320 0.76 MAPT (0.38) CYP2D6CA1CA2CA7SMN1; SMN2
SCHEMBL498582 0.75 SLC22A6 (0.38) SLC22A6CACNA2D1ADRA1ACACNB3CACNA1C
SCHEMBL25946698 0.72 PGD (0.32) PGDMMP1MMP2MMP3MMP9
SCHEMBL25946802 0.72 PGD (0.32) PGDMMP1MMP2MMP3MMP9
SCHEMBL2847564 0.72 PGD (0.32) PGD
SCHEMBL12285641 0.71 TDP1 (0.39) PGDSLC22A6ADRA1ATDP1CYP2D6
SCHEMBL2700221 0.71 PGD (0.36) PGDSLC22A6CACNA2D1ADRA1ACACNB3
SCHEMBL18327243 0.71 CACNA2D1 (0.47) PGDSLC22A6CACNA2D1ADRA1ACACNB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180170855-A1 TREPROSTINIL DERIVATIVES AND COMPOSITIONS AND USES THEREOF Corsair Pharma, Inc. 2018-06-21 US disclosed
US-9643911-B2 Treprostinil derivatives and compositions and uses thereof Corsair Pharma, Inc. (US) 2017-05-09 US disclosed
US-20160368855-A1 TREPROSTINIL DERIVATIVES AND COMPOSITIONS AND USES THEREOF Corsair Pharma, Inc. 2016-12-22 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 (2 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-20180170855-A1 TREPROSTINIL DERIVATIVES AND COMPOSITIONS AND USES THEREOF PTGIS, PTGIR, PDE3A PGD 381/4885SLC22A6 2017/4885CACNA2D1 4365/4885
US-20160368855-A1 TREPROSTINIL DERIVATIVES AND COMPOSITIONS AND USES THEREOF PTGIS, PTGIR, PDE3A PGD 381/4885SLC22A6 2017/4885CACNA2D1 4365/4885

“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.