SCHEMBL7610531

SCHEMBL7610531

CC(C)C[C@H](N)C(=O)N(CC(O)CNS(=O)(=O)c1ccccc1OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CTSK P43235 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ LARS1 Q9P2J5 1/20 0.35
▸ ADAMTS4 O75173 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ MMP14 P50281 1/20 0.35
▸ ADAMTS5 Q9UNA0 1/20 0.35
▸ SLC6A9 P48067 1/20 0.35
▸ CASR P41180 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ ACHE P22303 1/20 0.34

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
SCHEMBL7615037 0.85 CTSK (0.37) MEN1KMT2ACTSKALDH1A1LARS1
SCHEMBL7815912 0.83 HSP90AA1 (0.42) KDM4EALDH1A1LARS1ADAMTS4MMP2
SCHEMBL7160715 0.81 LARS1 (0.44) MEN1MAPTKMT2ASMN1; SMN2NPSR1
SCHEMBL7611741 0.78 ANPEP (0.39) CTSKALDH1A1LNPEPCTSLCTSB
SCHEMBL7610538 0.74 CTSK (0.56) CTSKCA1CTSLCTSBCTSS
SCHEMBL11660914 0.72 CTSK (0.43) CTSKALDH1A1CTSLCTSBCTSS
SCHEMBL10908162 0.72 ANPEP (0.45) CTSKALDH1A1CTSLCTSBCTSS
SCHEMBL7163407 0.69 CTSK (0.47) CTSKCTSLCTSBCTSS
SCHEMBL7167225 0.69 PTGER1 (0.36) CTSKMMP2MMP13LNPEPCTSL
SCHEMBL27799677 0.69 ANPEP (0.45) MEN1KMT2ACTSKALDH1A1CTSL

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-20020156018-A1 Treatment of parasitic diseases by inhibition of cysteine proteases of the papain superfamily THOMPSON SCOTT KEVIN (US) 2002-10-24 — — US disclosed
EP-1068304-A4 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORP (US) 2001-05-09 — — EP disclosed
EP-1068304-A1 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORPORATION (US) 2001-01-17 — — EP disclosed
WO-1999053039-A1 TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY SMITHKLINE BEECHAM CORPORATION (US) 1999-10-21 — — WO 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-20020156018-A1 Treatment of parasitic diseases by inhibition of cysteine proteases of the papain superfamily PEPD, PREP, CPN1 MEN1 3572/4885MAPT 2704/4885KMT2A 3922/4885

“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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