SCHEMBL2601905

SCHEMBL2601905

CC(NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)C=[N+]=[N-]

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 9/20 0.59
▸ CTSB P07858 6/20 0.59
▸ CTSS P25774 2/20 0.57
▸ CTSK P43235 1/20 0.57
▸ TACR1 P25103 2/20 0.56
▸ CAPN1 P07384 1/20 0.54

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
SCHEMBL9364460 1.00 CTSL (0.59) CTSLCTSBCTSSCTSKTACR1
SCHEMBL31397610 1.00 CTSL (0.59) CTSLCTSBCTSSCTSKTACR1
SCHEMBL6272041 0.96 CTSL (0.55) CTSLCTSBCTSSCTSKTACR1
SCHEMBL6272059 0.90 TACR1 (0.59) CTSLCTSBCTSSCTSKTACR1
SCHEMBL2601895 0.90 TACR1 (0.59) CTSLCTSBCTSSCTSKTACR1
SCHEMBL16323443 0.89 CTSL (0.57) CTSLCTSBCTSSCTSKTACR1
SCHEMBL16322636 0.89 CAPN1 (0.60) CTSLCTSBCTSSCTSKTACR1
SCHEMBL16323306 0.89 CTSL (0.57) CTSLCTSBCTSSCTSKTACR1
SCHEMBL1037693 0.89 CTSL (0.57) CTSLCTSBCTSSCTSKTACR1
SCHEMBL16322478 0.89 CTSL (0.57) CTSLCTSBCTSSCTSKTACR1

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-8163953-B2 Compounds for lysosomal modulation and methods of use UNIVERSITY OF CONNECTICUT (US) 2012-04-24 — — US disclosed
US-20090281178-A1 Compounds for Lysosomal Modulation and Methods of Use UNIVERSITY OF CONNECTICUT 2009-11-12 — — 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-20090281178-A1 Compounds for Lysosomal Modulation and Methods of Use GAA, GBA1, CTSA CTSL 215/4885CTSB 14/4885CTSS 17/4885

“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