SCHEMBL720779

SCHEMBL720779

COC(=O)C(C)c1ccc2cc(OP(=O)(Cl)N[C@@H](C)C(=O)OCc3ccc(F)cc3F)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAOB P27338 3/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
GSK3B P49841 1/20 0.36
BACE1 P56817 1/20 0.36
PTGS2 P35354 4/20 0.36
PTGS1 P23219 2/20 0.35
AKR1C3 P42330 2/20 0.35
AKR1C2 P52895 2/20 0.35
TSHR P16473 2/20 0.35
CDC42 P60953 1/20 0.35
RAC1 P63000 1/20 0.35
CYP1A2 P05177 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
PPARG P37231 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 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
SCHEMBL720778 1.00 TDP1 (0.38) TDP1L3MBTL1MAOBMTNR1AMTNR1B
SCHEMBL10208195 1.00 TDP1 (0.38) TDP1L3MBTL1MAOBMTNR1AMTNR1B
SCHEMBL1743289 0.87 GSK3B (0.35) MAOBGSK3BBACE1PTGS2PPARG
SCHEMBL721607 0.81 TDP1 (0.43) TDP1L3MBTL1MTNR1AMTNR1BPTGS2
SCHEMBL721609 0.81 TDP1 (0.43) TDP1L3MBTL1MTNR1AMTNR1BPTGS2
SCHEMBL721608 0.81 TDP1 (0.43) TDP1L3MBTL1MTNR1AMTNR1BPTGS2
SCHEMBL721544 0.76 PPARG (0.40) MAOBPPARG
SCHEMBL721545 0.76 PPARG (0.40) MAOBPPARG
SCHEMBL722731 0.75 TDP1 (0.39) TDP1L3MBTL1PTGS2PTGS1AKR1C3
SCHEMBL722730 0.75 TDP1 (0.39) TDP1L3MBTL1PTGS2PTGS1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759318-B2 Phosphoramidate derivatives of guanosine nucleoside compounds for treatment of viral infections INHIBITEX, INC. (US) 2014-06-24 US disclosed
US-20120052046-A1 Phosphoramidate Derivatives of Guanosine Nucleoside Compunds for Treatment of Viral Infections UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2012-03-01 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 (1 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-20120052046-A1 Phosphoramidate Derivatives of Guanosine Nucleoside Compunds for Treatment of Viral Infections PNP, SAMHD1, MTAP TDP1 431/4885L3MBTL1 2151/4885MAOB 3783/4885

“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.