SCHEMBL16504752

SCHEMBL16504752

COC(=O)[C@H](CCCCNC(=O)[C@H](CCCCNC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.45
CTSK P43235 4/20 0.45
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CAPN1 P07384 1/20 0.42
TDP1 Q9NUW8 4/20 0.41
ATM Q13315 2/20 0.41
POLB P06746 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CXCR3 P49682 1/20 0.39
SIRT5 Q9NXA8 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL16504753 1.00 CTSS (0.45) CTSSCTSKCA1CA2CAPN1
SCHEMBL16504797 1.00 CTSS (0.45) CTSSCTSKCA1CA2CAPN1
SCHEMBL16504470 1.00 CTSS (0.45) CTSSCTSKCA1CA2CAPN1
SCHEMBL16504471 1.00 CTSS (0.45) CTSSCTSKCA1CA2CAPN1
SCHEMBL23626318 0.92 CTSK (0.49) CTSSCTSKCA1CA2CAPN1
SCHEMBL16504677 0.90 CTSS (0.48) CTSSCTSKCA1CA2CAPN1
SCHEMBL16572287 0.90 CTSS (0.48) CTSSCTSKCA1CA2CAPN1
SCHEMBL16572281 0.90 CTSS (0.48) CTSSCTSKCA1CA2CAPN1
SCHEMBL16504607 0.90 CTSS (0.48) CTSSCTSKCA1CA2CAPN1
SCHEMBL16504508 0.90 CTSS (0.48) CTSSCTSKCA1CA2CAPN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3035923-B1 DITHIOL MUCOLYTIC AGENTS PARION SCIENCES INC (US) 2019-09-25 EP disclosed
US-9963427-B2 Dithiol mucolytic agents PARION SCIENCES, INC. (US) 2018-05-08 US disclosed
US-20160194278-A1 DITHIOL MUCOLYTIC AGENTS PARION SCIENCES, INC. (US) 2016-07-07 US disclosed
EP-3035923-A2 DITHIOL MUCOLYTIC AGENTS Parion Sciences, Inc. (US) 2016-06-29 EP disclosed
US-9346753-B2 Dithiol mucolytic agents PARION SCIENCES, INC. (US) 2016-05-24 US disclosed
WO-2015026601-A2 DITHIOL MUCOLYTIC AGENTS JOHNSON MICHAEL R (US) 2015-02-26 WO disclosed
US-20150056305-A1 DITHIOL MUCOLYTIC AGENTS PARION SCIENCES, INC. (US) 2015-02-26 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 (2 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-20160194278-A1 DITHIOL MUCOLYTIC AGENTS MUC1, DNASE1, MMP8 CTSS 698/4885CTSK 682/4885CA1 566/4885
US-20150056305-A1 DITHIOL MUCOLYTIC AGENTS MUC1, DNASE1, MMP8 CTSS 698/4885CTSK 682/4885CA1 566/4885

“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.