SCHEMBL2675573

SCHEMBL2675573

NCCC(=NNC(N)=S)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 7/20 0.73
ATM Q13315 1/20 0.59
METTL3 Q86U44 1/20 0.59
CTSB P07858 5/20 0.56
GAA P10253 2/20 0.54
MAPT P10636 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
EGFR P00533 1/20 0.50

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
SCHEMBL27647421 0.88 CTSL (0.71) CTSLATMMETTL3CTSBGAA
SCHEMBL27999578 0.87 CTSL (0.70) CTSLATMMETTL3CTSBGAA
SCHEMBL27627084 0.86 CTSL (0.69) CTSLATMMETTL3CTSBMAPT
SCHEMBL27647321 0.86 CTSL (0.69) CTSLATMMETTL3CTSBGAA
SCHEMBL8320460 0.86 CTSL (0.69) CTSLATMMETTL3CTSBGAA
SCHEMBL2674247 0.86 CTSL (0.69) CTSLATMMETTL3CTSBGAA
SCHEMBL8320462 0.86 CTSL (0.69) CTSLATMMETTL3CTSBGAA
SCHEMBL7167512 0.85 CTSL (0.68) CTSLATMMETTL3CTSBGAA
SCHEMBL7167509 0.85 CTSL (0.68) CTSLATMMETTL3CTSBGAA
SCHEMBL8426262 0.83 CTSL (0.66) CTSLATMMETTL3CTSBGAA

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-8173696-B2 Inhibitors of cysteine proteases and methods of use thereof BAYLOR UNIVERSITY (US) 2012-05-08 US disclosed
US-20090076076-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF BAYLOR UNIVERSITY (US) 2009-03-19 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-20090076076-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSB, CTSS, CTSZ CTSL 6/4885ATM 3439/4885METTL3 4067/4885

“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.