SCHEMBL6473457

SCHEMBL6473457

N[C@@H](CC1CCCC1)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.53
CYP2C19 P33261 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
METAP2 P50579 1/20 0.47
METAP1 P53582 1/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 1/20 0.46
EPHX1 P07099 1/20 0.46
DPP4 P27487 1/20 0.46
KCNH2 Q12809 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
ALDH1A1 P00352 5/20 0.45

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
Hydrochloric Acid SCHEMBL3823025 0.99 IDO1 (0.52) IDO1CYP2C19CYP3A4CYP2C9METAP2
SCHEMBL6479809 0.99 IDO1 (0.52) IDO1CYP2C19CYP3A4CYP2C9METAP2
Hydrochloric Acid SCHEMBL7297833 0.97 IDO1 (0.51) IDO1CYP2C19CYP3A4CYP2C9METAP2
Hydrochloric Acid SCHEMBL3825774 0.97 IDO1 (0.51) IDO1CYP2C19CYP3A4CYP2C9METAP2
SCHEMBL25597938 0.94 IDO1 (0.55) IDO1CYP2C19CYP3A4CYP2C9SLC6A2
SCHEMBL27504573 0.94 IDO1 (0.55) IDO1CYP2C19CYP3A4CYP2C9SLC6A2
SCHEMBL14190212 0.94 IDO1 (0.55) IDO1CYP2C19CYP3A4CYP2C9SLC6A2
Hydrochloric Acid SCHEMBL3820370 0.93 IDO1 (0.54) IDO1CYP2C19CYP3A4CYP2C9SLC6A2
Trifluoroacetic Acid SCHEMBL7206393 0.91 IDO1 (0.46) IDO1CYP2C19CYP3A4CYP2C9METAP2
SCHEMBL30695257 0.86 ALDH1A1 (0.46) CYP2C19CYP3A4CYP2C9METAP2METAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075281-A1 peptide antibiotics comprising lysobactin derivatives used for treatment and/or prophylaxis of bacterial infectious diseases; cyclic peptides BAYER HEALTHCARE AG (DE) 2005-04-07 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-20050075281-A1 peptide antibiotics comprising lysobactin derivatives used for treatment and/or prophylaxis of bacterial infectious diseases; cyclic peptides VIP, LNPEP, HAMP IDO1 2451/4885CYP2C19 2626/4885CYP3A4 4606/4885

“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.