SCHEMBL7946250

SCHEMBL7946250

CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NOC

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.49
▸ KMT2A Q03164 3/20 0.48
▸ PIN1 Q13526 1/20 0.48
▸ CTSL P07711 1/20 0.45
▸ CTSB P07858 1/20 0.45
▸ CTSS P25774 1/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ POLB P06746 1/20 0.42

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
SCHEMBL31251126 0.89 CASP3 (0.51) CASP3KMT2APIN1CTSLCTSB
SCHEMBL14019298 0.89 POLB (0.51) CASP3KMT2APIN1EPHX2POLB
SCHEMBL31546599 0.89 POLB (0.51) CASP3KMT2APIN1EPHX2POLB
SCHEMBL9269897 0.87 PIN1 (0.52) CASP3KMT2APIN1EPHX2
SCHEMBL15434562 0.87 CTSL (0.50) CASP3KMT2APIN1CTSLCTSB
SCHEMBL30582698 0.87 CASP3 (0.54) CASP3KMT2APIN1CTSLCTSB
SCHEMBL6038102 0.86 CASP3 (0.52) CASP3KMT2APIN1EPHX2
SCHEMBL118209 0.86 CASP3 (0.52) CASP3KMT2APIN1EPHX2
SCHEMBL119497 0.86 CASP3 (0.52) CASP3KMT2APIN1EPHX2
SCHEMBL1486214 0.86 CASP3 (0.52) CASP3KMT2APIN1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100003276-A1 Methods for treating anthrax and inhibiting lethal factor HERMES JEFFERY D 2010-01-07 — — US disclosed
US-7504425-B2 Compounds useful in the treatment of anthrax and inhibiting lethal factor MERCK & CO., INC. (US) 2009-03-17 — — 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-20100003276-A1 Methods for treating anthrax and inhibiting lethal factor ANTXR2, SERPINB1, APAF1 CASP3 516/4885KMT2A 4071/4885PIN1 3957/4885

“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.

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