SCHEMBL21048448

SCHEMBL21048448

CC(C)C(NC(=O)OCc1ccccc1)C(N)=S

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.58
CTSK P43235 4/20 0.58
CTSS P25774 3/20 0.58
CTSB P07858 3/20 0.58
CA2 P00918 1/20 0.55
CA5A P35218 1/20 0.55
ATM Q13315 1/20 0.53
ELANE P08246 2/20 0.53
PRTN3 P24158 1/20 0.53
CA1 P00915 1/20 0.53
ECE1 P42892 1/20 0.53
CASP3 P42574 2/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
CASP6 P55212 1/20 0.52
CASP8 Q14790 1/20 0.52
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
KMT2A Q03164 1/20 0.51
CAPN1 P07384 1/20 0.51

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
SCHEMBL16828812 1.00 CTSL (0.58) CTSLCTSKCTSSCTSBCA2
SCHEMBL7305552 0.89 ECE1 (0.64) CTSLCTSKCTSSCTSBCA2
SCHEMBL13973861 0.89 ECE1 (0.64) CTSLCTSKCTSSCTSBCA2
SCHEMBL7331078 0.89 ECE1 (0.64) CTSLCTSKCTSSCTSBCA2
SCHEMBL25700089 0.86 CTSL (0.58) CTSLCTSKCTSSCTSBCA2
SCHEMBL12590839 0.86 CTSK (0.56) CTSLCTSKCTSSCTSBATM
SCHEMBL29504873 0.86 CTSK (0.56) CTSLCTSKCTSSCTSBATM
SCHEMBL13199728 0.86 CTSK (0.56) CTSLCTSKCTSSCTSBATM
SCHEMBL1287168 0.85 CTSL (0.63) CTSLCTSKCTSSCTSBCA2
SCHEMBL220569 0.85 CTSL (0.63) CTSLCTSKCTSSCTSBCA2

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-10544145-B2 P2X3 and/or P2X2/3 compounds and methods ASANA BIOSCIENCES, LLC (US) 2020-01-28 US disclosed
US-20190248789-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS ABS DEVELOPMENT 1, INC. 2019-08-15 US disclosed
US-10316039-B2 P2X3 and/or P2X2/3 compounds and methods ASANA BIOSCIENCES, LLC (US) 2019-06-11 US disclosed
US-9346764-B2 Imidazolidinedione compounds and their uses HINOVA PHARMACEUTICALS INC. (CN) 2016-05-24 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 (3 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-10544145-B2 P2X3 and/or P2X2/3 compounds and methods P2RX3, P2RX2, P2RX1 CTSL 4540/4885CTSK 4633/4885CTSS 4589/4885
US-20190248789-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS P2RX3, P2RX2, P2RX1 CTSL 4540/4885CTSK 4633/4885CTSS 4589/4885
US-10316039-B2 P2X3 and/or P2X2/3 compounds and methods P2RX3, P2RX2, P2RX1 CTSL 4540/4885CTSK 4633/4885CTSS 4589/4885

“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.