SCHEMBL2675161

SCHEMBL2675161

NC(=S)NN=C(c1ccccc1)c1cccc(Br)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSL P07711 17/20 0.80
CTSB P07858 2/20 0.80

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
SCHEMBL6337559 1.00 CTSL (0.80) CTSLCTSB
SCHEMBL2675409 0.95 CTSL (0.86) CTSLCTSB
SCHEMBL6337649 0.91 CTSL (0.84) CTSLCTSB
SCHEMBL18529840 0.88 CTSL (1.00) CTSLCTSB
SCHEMBL6338501 0.88 CTSL (0.75) CTSLCTSB
SCHEMBL6337731 0.88 CTSL (1.00) CTSLCTSB
SCHEMBL31174804 0.88 CTSL (1.00) CTSLCTSB
SCHEMBL18540692 0.88 CTSL (1.00) CTSLCTSB
SCHEMBL29543636 0.88 CTSL (1.00) CTSLCTSB
SCHEMBL18540696 0.87 CTSL (0.92) CTSLCTSB

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 6/4885CTSB 1/4885

“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.