SCHEMBL13355673

SCHEMBL13355673

O=C(N[C@@H](Cc1ccccc1)C(=O)ON1OCCCC1=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.56
CASP1 P29466 1/20 0.55
CTSB P07858 7/20 0.52
CTSK P43235 5/20 0.52
CTSS P25774 4/20 0.52
TACR1 P25103 2/20 0.52
OPRK1 P41145 1/20 0.51
ALDH1A1 P00352 1/20 0.50
ALOX15 P16050 1/20 0.50
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
TYR P14679 1/20 0.49
ACE P12821 1/20 0.48

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
SCHEMBL17039822 0.85 TACR1 (0.55) CTSLCASP1CTSBCTSKCTSS
SCHEMBL14488100 0.85 TACR1 (0.55) CTSLCASP1CTSBCTSKCTSS
SCHEMBL5689118 0.85 TACR1 (0.55) CTSLCASP1CTSBCTSKCTSS
SCHEMBL8208600 0.81 CTSB (0.56) CTSLCASP1CTSBCTSKCTSS
SCHEMBL19203668 0.79 TACR1 (0.56) CTSLCASP1CTSBCTSKCTSS
SCHEMBL15080871 0.79 TACR1 (0.68) CTSLCTSBCTSKCTSSTACR1
SCHEMBL10977849 0.78 ITGB3 (0.57) CTSLCASP1CTSBCTSKCTSS
SCHEMBL10753165 0.76 CTSL (0.51) CTSLCTSBCTSKCTSSTACR1
SCHEMBL7151822 0.76 ALDH1A1 (0.74) CTSLCTSBCTSKCTSSTACR1
SCHEMBL329686 0.76 ALDH1A1 (0.74) CTSLCTSBCTSKCTSSTACR1

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-7723307-B2 Amino acid derivatives and pharmaceutical uses thereof ASTON UNIVERSITY (GB) 2010-05-25 US disclosed
US-20080200511-A1 Novel Compounds and Methods of Using the Same ASTON UNIVERSITY (GB) 2008-08-21 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-20080200511-A1 Novel Compounds and Methods of Using the Same F3, IL4I1, TPMT CTSL 2160/4885CASP1 709/4885CTSB 1003/4885

“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.