SCHEMBL2675160

SCHEMBL2675160

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

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 12/20 0.56
▸ CTSB P07858 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ EGFR P00533 1/20 0.44

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
SCHEMBL27950189 0.72 FABP4 (0.55) ALDH1A1
SCHEMBL941479 0.71 ATM (0.60) CTSLHTTKMT2ASMN1; SMN2
SCHEMBL28531054 0.70 FABP4 (0.46) ALDH1A1LMNAHTTKMT2A
Benzophenone-Thiosemicarbazone SCHEMBL17666878 0.69 CTSL (0.80) CTSLCTSB
SCHEMBL18529836 0.69 CTSL (0.56) CTSLCTSB
SCHEMBL15266779 0.68 CTSL (0.74) CTSLCTSBEGFR
SCHEMBL2675161 0.68 CTSL (0.80) CTSLCTSB
SCHEMBL6337559 0.68 CTSL (0.80) CTSLCTSB
SCHEMBL8895763 0.68 FABP4 (0.68) ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL15369575 0.68 CTSL (0.83) 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 1/4885ALDH1A1 1623/4885

“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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