Sugi Predict

Sugi Predict / Compounds / SCHEMBL1028372

SCHEMBL1028372

SCHEMBL1028372

O=C(OP(=O)(Cl)Oc1cccc2ccccc12)[C@H](Cc1ccccc1)NOCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.38
▸ ACP3 P15309 2/20 0.37
▸ MBTPS1 Q14703 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ CAPN1 P07384 1/20 0.37
▸ CTSB P07858 1/20 0.37
▸ ADAMTS5 Q9UNA0 1/20 0.37
▸ PSMB5 P28074 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 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
SCHEMBL15708135 0.87 FNTA (0.38) CASP1ALDH1A1MAPTGAAMRGPRX4
SCHEMBL1027922 0.87 ALDH1A1 (0.40) CASP1ALDH1A1MAPTGAAMEN1
SCHEMBL3977464 0.87 ALDH1A1 (0.40) CASP1ALDH1A1MAPTGAAMEN1
SCHEMBL12477399 0.85 CASP3 (0.39) CASP1ALDH1A1MAPTGAAMEN1
SCHEMBL10004489 0.80 RAB9A (0.49) GAAKMT2A
SCHEMBL28460302 0.79 TACR1 (0.43) ALDH1A1MAPTMBTPS1CTSBTACR1
SCHEMBL1026521 0.76 MRGPRX4 (0.38) CASP1ALDH1A1MAPTGAAMEN1
SCHEMBL15486994 0.76 ACP3 (0.45) ALDH1A1MAPTMEN1KMT2AACP3
SCHEMBL15720879 0.76 ACP3 (0.45) ALDH1A1MAPTMEN1KMT2AACP3
SCHEMBL1817702 0.76 NOS3 (0.41) CTSBHPGD

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 4 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
EP-2274311-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF VIRAL INFECTION Government of the United States of America, as represented by the Secretary, Department of Health and Human Services (US) 2011-01-19 — — EP disclosed
WO-2009142827-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF VIRAL INFECTION GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-11-26 — — 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 (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 CASP1 176/4885ALDH1A1 877/4885MAPT 2503/4885

“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.