SCHEMBL13409458

SCHEMBL13409458

C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2s1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.53
CTSB P07858 4/20 0.53
CTSS P25774 2/20 0.53
CTSK P43235 1/20 0.53
TACR1 P25103 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
CAPN1 P07384 2/20 0.50

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
SCHEMBL13475728 1.00 CTSL (0.53) CTSLCTSBCTSSCTSKTACR1
SCHEMBL13093588 0.91 TSHR (0.55) CTSLCTSBCTSSCTSKHDAC3
SCHEMBL13093577 0.90 HDAC3 (0.53) CTSLCTSBCTSSCTSKTACR1
SCHEMBL7854634 0.85 CAPN1 (0.53) CTSLCTSBCTSKCAPN1
SCHEMBL7855881 0.85 CAPN1 (0.52) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL7846253 0.84 CAPN1 (0.50) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL8373245 0.83 CAPN1 (0.54) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL7288698 0.83 ALOX15 (0.53) CTSLCTSBCTSSCTSKHDAC3
SCHEMBL7288707 0.83 ALOX15 (0.53) CTSLCTSBCTSSCTSKHDAC3
SCHEMBL6463431 0.82 CTSL (0.56) CTSLCTSBCTSSCTSKCAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099721-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS PROBIODRUG AG (DE) 2010-04-22 US disclosed
US-20100099721-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS PROBIODRUG AG (DE) 2010-04-22 US disclosed
US-7667044-B2 treating nervous system diorders such as Alzheimer's disease, Down Syndrome, Parkinson disease and Huntington chorea by administering inhibitors of prolyl endopeptidases PROBIODRUG AG (DE) 2010-02-23 US disclosed
US-7667044-B2 treating nervous system diorders such as Alzheimer's disease, Down Syndrome, Parkinson disease and Huntington chorea by administering inhibitors of prolyl endopeptidases PROBIODRUG AG (DE) 2010-02-23 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-20100099721-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS PREP, BACE1, BCHE CTSL 27/4885CTSB 24/4885CTSS 10/4885

“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.