SCHEMBL14377801

SCHEMBL14377801

BC(=O)N1C[C@@H](O)C[C@H]1C(=O)OC

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.57
▸ MMP2 P08253 5/20 0.51
▸ ANPEP P15144 3/20 0.51
▸ ATM Q13315 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PEPD P12955 2/20 0.39
▸ CYP3A4 P08684 4/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ XPNPEP1 Q9NQW7 1/20 0.35

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
SCHEMBL3783080 0.84 MMP2 (0.72) ALDH1A1MMP2ANPEPATMMEN1
SCHEMBL8401942 0.84 ALDH1A1 (0.59) ALDH1A1MMP2ANPEPATMMEN1
SCHEMBL10061040 0.84 ALDH1A1 (0.59) ALDH1A1MMP2ANPEPATMMEN1
SCHEMBL8401692 0.84 ALDH1A1 (0.59) ALDH1A1MMP2ANPEPATMMEN1
SCHEMBL996113 0.84 ALDH1A1 (0.59) ALDH1A1MMP2ANPEPATMMEN1
SCHEMBL996114 0.84 ALDH1A1 (0.59) ALDH1A1MMP2ANPEPATMMEN1
SCHEMBL3783083 0.84 MMP2 (0.72) ALDH1A1MMP2ANPEPATMMEN1
SCHEMBL8401652 0.84 ALDH1A1 (0.59) ALDH1A1MMP2ANPEPATMMEN1
SCHEMBL3784082 0.84 MMP2 (0.72) ALDH1A1MMP2ANPEPATMMEN1
SCHEMBL3272061 0.84 ALDH1A1 (0.59) ALDH1A1MMP2ANPEPATMMEN1

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-20070249637-A1 Inhibitors Of Hepatitis C Virus Protease, And Compositions And Treatments Using The Same COLLINS MICHAEL R 2007-10-25 — — 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-20070249637-A1 Inhibitors Of Hepatitis C Virus Protease, And Compositions And Treatments Using The Same SERPINB1, CTSC, CTSV ALDH1A1 698/4885MMP2 35/4885ANPEP 43/4885

“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.

Send feedback