SCHEMBL2601895

SCHEMBL2601895

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

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 2/20 0.59
▸ CTSL P07711 8/20 0.58
▸ CTSB P07858 6/20 0.58
▸ CTSS P25774 3/20 0.58
▸ CTSK P43235 1/20 0.58

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
SCHEMBL6272059 1.00 TACR1 (0.59) TACR1CTSLCTSBCTSSCTSK
SCHEMBL30515231 0.95 TACR1 (0.57) TACR1CTSLCTSBCTSSCTSK
SCHEMBL10944965 0.95 TACR1 (0.57) TACR1CTSLCTSBCTSSCTSK
SCHEMBL10944953 0.95 TACR1 (0.57) TACR1CTSLCTSBCTSSCTSK
SCHEMBL9364460 0.90 CTSL (0.59) TACR1CTSLCTSBCTSSCTSK
SCHEMBL2601905 0.90 CTSL (0.59) TACR1CTSLCTSBCTSSCTSK
SCHEMBL31397610 0.90 CTSL (0.59) TACR1CTSLCTSBCTSSCTSK
SCHEMBL29430953 0.89 CTSL (0.58) TACR1CTSLCTSBCTSSCTSK
SCHEMBL28332169 0.89 KDM1A (0.52) TACR1CTSLCTSBCTSSCTSK
SCHEMBL9556498 0.89 CAPN1 (0.58) TACR1CTSLCTSBCTSSCTSK

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 TACR1 2078/4885CTSL 215/4885CTSB 14/4885

“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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