SCHEMBL4086975

SCHEMBL4086975

CC(C)C(O)[C@@H]([C]=O)NC(=O)[C@H](Cc1cccc(N)c1)NC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSL P07711 8/20 0.51
CTSB P07858 5/20 0.51
CTSS P25774 5/20 0.51
CTSK P43235 3/20 0.51
TACR1 P25103 2/20 0.49
REN P00797 1/20 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
SCHEMBL4097399 0.83 CTSS (0.47) CTSLCTSBCTSSCTSKTACR1
SCHEMBL4082641 0.80 CTSC (0.41)
SCHEMBL9804986 0.75 CTSK (0.69) CTSLCTSBCTSSCTSK
Trifluoroacetic Acid SCHEMBL3051082 0.74 ITGB3 (0.55) CTSLCTSBCTSSCTSKTACR1
SCHEMBL13768441 0.74 KDM1A (0.61) CTSLCTSBCTSSCTSKTACR1
SCHEMBL10802556 0.73 CTSL (0.70) CTSLCTSBCTSSCTSKTACR1
SCHEMBL19807564 0.73 TACR1 (0.72) CTSLCTSBCTSSCTSKTACR1
SCHEMBL1152786 0.73 ATM (0.56) CTSLCTSBCTSSCTSK
SCHEMBL7300987 0.73 ATM (0.56) CTSLCTSBCTSSCTSK
SCHEMBL8241135 0.73 ATM (0.56) CTSLCTSSCTSKTACR1

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-8076285-B2 Lysobactin amides AICURIS GMBH & CO. KG (DE) 2011-12-13 US disclosed
US-20090203582-A1 LYSOBACTIN AMIDES BAYER HEALTHCARE AG (DE) 2009-08-13 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 (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-20090203582-A1 LYSOBACTIN AMIDES AADAT, HAMP, DLST CTSL 196/4885CTSB 236/4885CTSS 660/4885

“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.