SCHEMBL721685

SCHEMBL721685

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.43
KIF11 P52732 1/20 0.42
MARS1 P56192 7/20 0.41
CTSC P53634 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
PGGT1B P53609 1/20 0.38
ALOX5 P09917 2/20 0.37
MME P08473 1/20 0.36
ANPEP P15144 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FFAR1 O14842 1/20 0.36

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
SCHEMBL721686 1.00 HCAR2 (0.43) HCAR2KIF11MARS1CTSCFNTA
SCHEMBL11340217 0.87 KIF11 (0.56) KIF11MARS1CTSCFNTAFNTB
SCHEMBL28493116 0.80 HCAR2 (0.49) HCAR2KIF11CYP1A2CYP2D6PKM
SCHEMBL28268220 0.79 HCAR2 (0.47) HCAR2KIF11CYP1A2CYP2D6PKM
SCHEMBL7944346 0.79 HCAR2 (0.47) HCAR2KIF11MMEANPEPCYP1A2
SCHEMBL20121831 0.79 ALDH1A1 (0.48) HCAR2SMN1; SMN2
SCHEMBL28265844 0.78 ALPI (0.54) HCAR2ANPEPPKMFFAR1
SCHEMBL7546444 0.78 ATM (0.43) MARS1CTSCMMEANPEP
SCHEMBL7781980 0.78 ATM (0.43) MARS1CTSCMMEANPEP
SCHEMBL24251134 0.77 HCAR2 (0.45) HCAR2CYP1A2CYP2D6FFAR1

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 4495/4885KIF11 3646/4885MARS1 252/4885

“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.