SCHEMBL1552017

SCHEMBL1552017

CC(C)N(OP(OCc1ccccc1)ON(C(C)C)C(C)C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
KMT2A Q03164 2/20 0.37
IDO1 P14902 1/20 0.36
TAAR1 Q96RJ0 4/20 0.36
SIGMAR1 Q99720 2/20 0.36
SLC18A2 Q05940 1/20 0.36
AGXT P21549 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
MAPK1 P28482 2/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
SLC6A2 P23975 2/20 0.34
MAOA P21397 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CYP2A6 P11509 1/20 0.34

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
SCHEMBL4869141 0.96 TSHR (0.39) TSHRKMT2AIDO1TAAR1SIGMAR1
SCHEMBL383496 0.77 TSHR (0.48) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL9052472 0.77 TSHR (0.48) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL194803 0.76 TSHR (0.57) TSHRKMT2AIDO1AGXTALDH1A1
SCHEMBL18544225 0.76 TSHR (0.43) TSHRIDO1TAAR1SIGMAR1SLC18A2
SCHEMBL30002087 0.76 TSHR (0.43) TSHRIDO1TAAR1AGXTALDH1A1
SCHEMBL9008151 0.75 TSHR (0.39) TSHRKMT2AIDO1TAAR1SIGMAR1
SCHEMBL6601776 0.74 IDO1 (0.49) KMT2AIDO1ALDH1A1CA1CA2
SCHEMBL2252915 0.74 TSHR (0.41) TSHRKMT2AIDO1TAAR1SIGMAR1
SCHEMBL80897 0.74 TSHR (0.41) TSHRKMT2AIDO1TAAR1SIGMAR1

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 TSHR 3710/4885KMT2A 4377/4885IDO1 4111/4885
US-20100081628-A1 NUCLEOSIDE CYCLICPHOSPHATES PNP, NUDT1, TYMP TSHR 3710/4885KMT2A 4377/4885IDO1 4111/4885

“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.