SCHEMBL19252729

SCHEMBL19252729

CN[C@@H](CCCNC(=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.47
CTSB P07858 3/20 0.47
CTSS P25774 3/20 0.47
CTSK P43235 3/20 0.47
FOLH1 Q04609 2/20 0.43
SIRT1 Q96EB6 2/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
TGM2 P21980 1/20 0.42
SIRT5 Q9NXA8 1/20 0.42
OPRK1 P41145 1/20 0.41
CAPN1 P07384 1/20 0.41
TACR1 P25103 2/20 0.41

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
SCHEMBL1661928 0.94 CTSL (0.47) CTSLCTSBCTSSCTSKSIRT2
SCHEMBL1661320 0.84 GRIA1 (0.43) CTSLOPRK1
SCHEMBL1661328 0.84 NPY4R (0.37) CTSLCTSBCTSSCTSK
SCHEMBL19252747 0.82 PTGER4 (0.45) CTSLFOLH1
SCHEMBL1662044 0.79 NPY4R (0.38) OPRK1
SCHEMBL29670420 0.78 CTSL (0.60) CTSLCTSBCTSSCTSKOPRK1
SCHEMBL1661064 0.76 NPY4R (0.48)
SCHEMBL17495217 0.75 NPY4R (0.42) OPRK1
SCHEMBL2031362 0.74 FOLH1 (0.58) CTSLCTSSFOLH1SIRT1SIRT2
SCHEMBL1661018 0.73 CTSL (0.64) CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170240592-A1 GADD45BETA/MKK7 INHIBITOR FOR THE TREATMENT OF A RESISTANT HAEMATOLOGICAL MALIGNANCY IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2017-08-24 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-20170240592-A1 GADD45BETA/MKK7 INHIBITOR FOR THE TREATMENT OF A RESISTANT HAEMATOLOGICAL MALIGNANCY MCL1, DDIT3, MAP2K7 CTSL 3744/4885CTSB 3044/4885CTSS 4344/4885

“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.