SCHEMBL3811282

SCHEMBL3811282

N#CN1CC[C@@H](N(Cc2cc(Cl)ccc2Cl)S(=O)(=O)c2cc(Br)ccc2Br)C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.49
CTSS P25774 3/20 0.49
CTSK P43235 3/20 0.49
CTSB P07858 2/20 0.49
USP30 Q70CQ3 10/20 0.43
RORC P51449 2/20 0.41
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
PGR P06401 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
TSHR P16473 2/20 0.38
KCNH2 Q12809 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
CTSC P53634 2/20 0.37

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
SCHEMBL3810468 0.91 CTSL (0.49) CTSLCTSSCTSKCTSBUSP30
SCHEMBL3816034 0.87 CTSL (0.49) CTSLCTSSCTSKCTSBUSP30
SCHEMBL3808420 0.86 CTSL (0.48) CTSLCTSSCTSKCTSBUSP30
SCHEMBL3806244 0.84 CTSL (0.54) CTSLCTSSCTSKCTSBUSP30
SCHEMBL3808374 0.83 CTSL (0.49) CTSLCTSSCTSKCTSBUSP30
SCHEMBL3811443 0.82 CTSL (0.53) CTSLCTSSCTSKCTSBUSP30
SCHEMBL3806572 0.82 CTSL (0.48) CTSLCTSSCTSKCTSBUSP30
SCHEMBL3815837 0.81 CTSL (0.51) CTSLCTSSCTSKCTSBUSP30
SCHEMBL3810406 0.80 CTSL (0.54) CTSLCTSSCTSKCTSBUSP30
SCHEMBL3813965 0.80 CTSL (0.54) CTSLCTSSCTSKCTSBUSP30

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-20090264498-A1 Cathepsin C Inhibitors GLAXO GROUP LIMITED (GB) 2009-10-22 US claimed

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-20090264498-A1 Cathepsin C Inhibitors CTSF, CTSZ, CTSG CTSL 9/4885CTSS 5/4885CTSK 10/4885

“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.