SCHEMBL1552018

SCHEMBL1552018

CC(C)N(C(C)C)C(OP(O)O)(c1ccccc1)N(C(C)C)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 3/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
ALOX15 P16050 1/20 0.35
CYP1A2 P05177 1/20 0.34
KCNN4 O15554 3/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.32
GRIN1 Q05586 6/20 0.32
GRIN2A Q12879 6/20 0.32
GRIN2D O15399 5/20 0.32
GRIN2C Q14957 5/20 0.32

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
SCHEMBL2252922 0.77 KCNN4 (0.35) MAPK1ALDH1A1CYP2D6CYP2C19HSD17B10
SCHEMBL9494144 0.71 CYP2D6 (0.41) MAPK1ALDH1A1CYP2D6CYP2C19HSD17B10
SCHEMBL18544226 0.71 CYP2D6 (0.41) MAPK1ALDH1A1CYP2D6CYP2C19HSD17B10
SCHEMBL18544240 0.70 ALDH1A1 (0.58) MAPK1ALDH1A1CYP2D6CYP2C19ALOX15
SCHEMBL6809764 0.70 ALDH1A1 (0.46) MAPK1ALDH1A1CYP2D6CYP2C19ALOX15
SCHEMBL3969286 0.69 KIF11 (0.40) MAPK1ALDH1A1CYP2D6CYP2C19ALOX15
SCHEMBL11147173 0.69 ALDH1A1 (0.39) MAPK1ALDH1A1CYP2D6CYP2C19HSD17B10
SCHEMBL28467487 0.69 CYP2D6 (0.44) MAPK1ALDH1A1CYP2D6CYP2C19HSD17B10
SCHEMBL4462032 0.67 ALDH1A1 (0.43) MAPK1ALDH1A1CYP2D6CYP2C19HSD17B10
SCHEMBL4459729 0.67 ALDH1A1 (0.35) MAPK1ALDH1A1CYP2D6CYP2C19HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2313422-B1 NUCLEOSIDE CYCLICPHOSPHATES GILEAD PHARMASSET LLC (US) 2015-03-04 EP disclosed
US-8759510-B2 Nucleoside cyclicphosphates GILEAD PHARMASSET LLC (US) 2014-06-24 US disclosed
US-20120258928-A1 NUCLEOSIDE CYCLICPHOSPHATES GILEAD PHARMASSET LLC (US) 2012-10-11 US disclosed
US-8173621-B2 Nucleoside cyclicphosphates GILEAD PHARMASSET LLC (US) 2012-05-08 US disclosed
EP-2313422-A2 NUCLEOSIDE CYCLICPHOSPHATES Pharmasset, Inc. (US) 2011-04-27 EP disclosed
US-20100081628-A1 NUCLEOSIDE CYCLICPHOSPHATES PHARMASSET, INC. (US) 2010-04-01 US disclosed
WO-2009152095-A2 NUCLEOSIDE CYCLICPHOSPHATES PHARMASSET, INC. (US) 2009-12-17 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 (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-20120258928-A1 NUCLEOSIDE CYCLICPHOSPHATES PNP, NUDT1, TYMP MAPK1 2665/4885ALDH1A1 3540/4885CYP2D6 3301/4885
US-20100081628-A1 NUCLEOSIDE CYCLICPHOSPHATES PNP, NUDT1, TYMP MAPK1 2665/4885ALDH1A1 3540/4885CYP2D6 3301/4885

“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.