SCHEMBL5844669

SCHEMBL5844669

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
HIF1A Q16665 1/20 0.49
BLM P54132 2/20 0.44
PPARA Q07869 2/20 0.40
PPARG P37231 1/20 0.40
CYP3A4 P08684 3/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 2/20 0.38
PMP22 Q01453 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
EGFR P00533 1/20 0.38
FYN P06241 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
APEX1 P27695 1/20 0.38

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
SCHEMBL2844022 0.88 BLM (0.59) SMN1; SMN2HIF1ABLMCYP3A4HPGD
SCHEMBL27616082 0.88 SMN1; SMN2 (0.49) SMN1; SMN2HIF1ABLMPPARAPPARG
SCHEMBL2844025 0.88 BLM (0.59) SMN1; SMN2HIF1ABLMCYP3A4HPGD
SCHEMBL4937591 0.88 SMN1; SMN2 (0.66) SMN1; SMN2HIF1ABLMPPARAPPARG
SCHEMBL6464407 0.88 SMN1; SMN2 (0.66) SMN1; SMN2HIF1ABLMPPARAPPARG
SCHEMBL5031241 0.87 SMN1; SMN2 (0.47) SMN1; SMN2HIF1ABLMPPARAPPARG
SCHEMBL5844647 0.87 SMN1; SMN2 (0.47) SMN1; SMN2HIF1ABLMPPARAPPARG
SCHEMBL5843911 0.87 CYP3A4 (0.49) SMN1; SMN2HIF1ABLMPPARAPPARG
SCHEMBL5031242 0.87 SMN1; SMN2 (0.47) SMN1; SMN2HIF1ABLMPPARAPPARG
SCHEMBL16553913 0.87 SMN1; SMN2 (0.47) SMN1; SMN2HIF1ABLMPPARACYP3A4

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 3 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
US-20050010031-A1 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY 2005-01-13 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 (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.