Sugi Predict

Sugi Predict / Compounds / SCHEMBL4599750

SCHEMBL4599750

SCHEMBL4599750

CC[C@H](C(=O)O)N(C(=O)OC)C1c2ccccc2-c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ GPR3 P46089 1/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ PPARG P37231 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ SLC22A2 O15244 1/20 0.34
▸ SLC22A3 O75751 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33

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
SCHEMBL1405820 1.00 CYP1A2 (0.38) CYP1A2TSHRGPR3KMT2APOLB
SCHEMBL30510259 1.00 CYP1A2 (0.38) CYP1A2TSHRGPR3KMT2APOLB
SCHEMBL1405873 1.00 CYP1A2 (0.38) CYP1A2TSHRGPR3KMT2APOLB
SCHEMBL25177898 0.90 CYP1A2 (0.37) CYP1A2TSHRGPR3KMT2APOLB
SCHEMBL8812896 0.88 CYP1A2 (0.38) CYP1A2TSHRGPR3KMT2APOLB
SCHEMBL30510335 0.88 CYP1A2 (0.38) CYP1A2TSHRGPR3KMT2APOLB
SCHEMBL5497625 0.88 CYP1A2 (0.47) CYP1A2TSHRGPR3KMT2APOLB
SCHEMBL418100 0.88 CYP1A2 (0.38) CYP1A2TSHRGPR3KMT2APOLB
SCHEMBL1000116 0.87 BCHE (0.37) CYP1A2TSHRKMT2APOLBMAPT
SCHEMBL1000114 0.87 BCHE (0.37) CYP1A2TSHRKMT2APOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-17 — — US disclosed
WO-2008080223-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-10 — — WO disclosed
EP-1910279-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2008-04-16 — — EP disclosed
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-25 — — US disclosed
WO-2007002639-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-04 — — 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 (2 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-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF HAVCR2, ADAR, NSUN2 CYP1A2 3094/4885TSHR 2471/4885GPR3 3046/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH CYP1A2 4344/4885TSHR 4481/4885GPR3 4690/4885

“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.