SCHEMBL18946403

SCHEMBL18946403

CCOP(=O)(OCC)C(C)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 3/20 0.52
▸ CTSK P43235 3/20 0.52
▸ REN P00797 1/20 0.45
▸ CA2 P00918 1/20 0.42
▸ BACE1 P56817 7/20 0.42
▸ KDM4E B2RXH2 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TSHR P16473 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ BACE2 Q9Y5Z0 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
SCHEMBL18946401 0.90 CTSS (0.50) CTSSCTSKRENCA2BACE1
SCHEMBL17109077 0.89 CTSK (0.50) CTSSCTSKRENCA2BACE1
SCHEMBL18946399 0.84 CA1 (0.44) CTSSCTSKCA2
SCHEMBL10144023 0.81 CTSS (0.59) CTSSCTSKRENCA2BACE1
SCHEMBL18946400 0.81 CTSK (0.43) CTSSCTSKRENCA2BACE1
SCHEMBL18946433 0.79 CTSK (0.42) CTSSCTSKCA2
SCHEMBL18946365 0.79 CTSK (0.42) CTSSCTSKCA2
SCHEMBL30064531 0.79 CTSS (0.63) CTSSCTSKRENCA2BACE1
SCHEMBL17109090 0.78 CTSK (0.41) CTSSCTSKRENCA2
SCHEMBL29918073 0.78 CTSS (0.56) CTSSCTSKRENCA2BACE1

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-9969758-B2 Antimicrobial compounds BIOMERIEUX (FR) 2018-05-15 — — US disclosed
US-20170158720-A1 Antimicrobial Compounds BIOMERIEUX (FR) 2017-06-08 — — 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-20170158720-A1 Antimicrobial Compounds NGLY1, MRPL21, VIP CTSS 1214/4885CTSK 1125/4885REN 536/4885

“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