Sugi Predict

Sugi Predict / Compounds / SCHEMBL5844647

SCHEMBL5844647

SCHEMBL5844647

CC(C)(C)OC(=O)[C@@](N)(Cc1ccc(F)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ BLM P54132 2/20 0.43
▸ CTSS P25774 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ GRM2 Q14416 3/20 0.37
▸ GRM3 Q14832 1/20 0.37
▸ HPGD P15428 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ FYN P06241 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL27505882 1.00 SMN1; SMN2 (0.47) SMN1; SMN2HIF1ABLMCTSSCTSK
SCHEMBL27616082 0.87 SMN1; SMN2 (0.49) SMN1; SMN2HIF1ABLMHPGDKDM4E
SCHEMBL2844025 0.87 BLM (0.59) SMN1; SMN2HIF1ABLMCTSSCTSK
SCHEMBL5844669 0.87 SMN1; SMN2 (0.49) SMN1; SMN2HIF1ABLMHPGDKDM4E
SCHEMBL2844022 0.87 BLM (0.59) SMN1; SMN2HIF1ABLMCTSSCTSK
SCHEMBL6464407 0.86 SMN1; SMN2 (0.66) SMN1; SMN2HIF1ABLMCTSSCTSK
SCHEMBL4937591 0.86 SMN1; SMN2 (0.66) SMN1; SMN2HIF1ABLMCTSSCTSK
SCHEMBL5844750 0.86 SMN1; SMN2 (0.45) SMN1; SMN2HIF1ABLMPPARAPPARG
SCHEMBL27735390 0.86 SMN1; SMN2 (0.45) SMN1; SMN2HIF1ABLMPPARAPPARG
SCHEMBL5843911 0.85 CYP3A4 (0.49) SMN1; SMN2HIF1ABLMCTSKHPGD

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-7132539-B2 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY (US) 2006-11-07 — — US disclosed
US-20060247224-A1 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY 2006-11-02 — — US disclosed
EP-1556361-A2 2-ALKYL-(2-AMINO-3-ARYL-PROPIONYL)-PIPERAZINE DERIVATIVES AND RELATED COMPOUNDS AS MELANOCORTIN RECEPTOR LIGANDS FOR THE TREATMENT OF OBESITY THE PROCTER & GAMBLE COMPANY (US) 2005-07-27 — — EP disclosed
US-20050010031-A1 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY 2005-01-13 — — US disclosed
WO-2004037797-A2 2 - ALKYL - (2 - AMINO - 3 - ARYL - PROPIONYL) - PIPERAZINE DERIVATIVES AND RELATED COMPOUNDS AS MELANOCORTIN RECEPTOR LIGANDS FOR THE TREATMENT OF OBESITY THE PROCTER & GAMBLE COMPANY (US) 2004-05-06 — — 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-20050010031-A1 Melanocortin receptor ligands MC3R, MC5R, MC1R SMN1; SMN2 4664/4885HIF1A 2980/4885BLM 4818/4885
US-20060247224-A1 Melanocortin receptor ligands MC3R, MC5R, MC1R SMN1; SMN2 4747/4885HIF1A 2905/4885BLM 4813/4885

“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.