SCHEMBL12467482

SCHEMBL12467482

CCCCOC(=O)[C@H](Cc1ccccc1)NP(=O)(Cl)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.46
RAB9A P51151 2/20 0.42
GAA P10253 1/20 0.42
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.40
PRTN3 P24158 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40
ANPEP P15144 1/20 0.40
LAP3 P28838 1/20 0.40
ACE P12821 1/20 0.39
ACE2 Q9BYF1 1/20 0.39

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
SCHEMBL25526042 0.97 HPRT1 (0.45) HPRT1RAB9AGAAITGB1ITGA4
SCHEMBL25526439 0.96 HPRT1 (0.44) HPRT1RAB9AITGB1ITGA4TSHR
SCHEMBL25526058 0.96 HPRT1 (0.44) HPRT1RAB9AITGB1ITGA4TSHR
SCHEMBL25526450 0.96 HPRT1 (0.44) HPRT1RAB9AITGB1ITGA4TSHR
SCHEMBL25526173 0.96 HPRT1 (0.44) HPRT1RAB9AITGB1ITGA4TSHR
SCHEMBL25526195 0.96 HPRT1 (0.44) HPRT1RAB9AITGB1ITGA4TSHR
SCHEMBL30335207 0.96 HPRT1 (0.44) HPRT1RAB9AITGB1ITGA4TSHR
SCHEMBL25526176 0.96 HPRT1 (0.44) HPRT1RAB9AITGB1ITGA4TSHR
SCHEMBL25526186 0.96 HPRT1 (0.44) HPRT1RAB9AITGB1ITGA4TSHR
SCHEMBL25526187 0.96 HPRT1 (0.44) HPRT1RAB9AITGB1ITGA4TSHR

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-8946243-B2 Compounds and methods for the treatment of viral infection THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-02-03 US disclosed
US-20110184003-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF VIRAL INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY TH (US) 2011-07-28 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-20110184003-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF VIRAL INFECTION TPMT, TYMP, MTAP HPRT1 4/4885RAB9A 3121/4885GAA 307/4885

“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.