SCHEMBL721076

SCHEMBL721076

C[C@H](N)C(=O)O[C@@H](C)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.54
KMT2A Q03164 1/20 0.46
ADRA2A P08913 1/20 0.44
ADRA2C P18825 1/20 0.44
LMNA P02545 1/20 0.44
HIF1A Q16665 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CTRB1 P17538 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALOX5 P09917 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KLK7 P49862 1/20 0.41
FFAR1 O14842 1/20 0.41
LPAR1 Q92633 2/20 0.40

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
SCHEMBL721077 1.00 HCAR2 (0.54) HCAR2KMT2AADRA2AADRA2CLMNA
Hydrochloric Acid SCHEMBL858822 0.98 HCAR2 (0.53) HCAR2KMT2AADRA2AADRA2CLMNA
Hydrochloric Acid SCHEMBL29787409 0.98 HCAR2 (0.53) HCAR2KMT2AADRA2AADRA2CLMNA
SCHEMBL585318 0.88 HCAR2 (0.58) HCAR2KMT2AALDH1A1TP53HSD17B10
SCHEMBL19581641 0.85 HCAR2 (0.51) HCAR2KMT2AADRA2AADRA2CLMNA
SCHEMBL721557 0.85 HCAR2 (0.51) HCAR2KMT2AADRA2AADRA2CLMNA
SCHEMBL19581639 0.85 HCAR2 (0.51) HCAR2KMT2AADRA2AADRA2CLMNA
SCHEMBL721558 0.85 HCAR2 (0.51) HCAR2KMT2AADRA2AADRA2CLMNA
SCHEMBL8766747 0.85 KIF11 (0.51) HCAR2KMT2AADRA2AADRA2CLMNA
SCHEMBL7284857 0.82 HCAR2 (0.56) HCAR2KMT2ALMNAALDH1A1TP53

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 HCAR2 4495/4885KMT2A 3637/4885ADRA2A 4645/4885

“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.