SCHEMBL9259839

SCHEMBL9259839

CNC(=O)[C@H](Cc1ccc(C#N)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 15/20 0.63
CTSK P43235 14/20 0.63
CTSB P07858 4/20 0.62
CTSL P07711 2/20 0.62
HDAC8 Q9BY41 1/20 0.52
PTPN1 P18031 1/20 0.50
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48

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
SCHEMBL9259835 1.00 CTSS (0.63) CTSSCTSKCTSBCTSLHDAC8
SCHEMBL18930492 1.00 CTSS (0.63) CTSSCTSKCTSBCTSLHDAC8
SCHEMBL1350138 0.88 PTPN1 (0.62) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL3450109 0.88 PTPN1 (0.62) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL31524193 0.88 CTSS (0.59) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL1350140 0.88 PTPN1 (0.62) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL15084091 0.86 CTSS (0.58) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL18920552 0.86 CTSS (0.58) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL16935721 0.86 CTSS (0.58) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL18930696 0.86 CTSS (0.58) CTSSCTSKCTSBCTSLPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200339562-A1 COVALENT BTK INHIBITORS AND USES THEREOF MIDCAP FINANCIAL TRUST 2020-10-29 US disclosed
WO-2017190048-A1 COVALENT BTK INHIBITORS AND USES THEREOF X-CHEM, INC. (US) 2017-11-02 WO disclosed
EP-2758398-B1 SUBSTITUTED N- [1-CYANO-2- (PHENYL) ETHYL]-2-AZABICYCLO [2.2.1]HEPTANE-3-CARBOXAMIDE INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2017-08-02 EP disclosed
WO-2013041497-A1 SUBSTITUTED N- [1-CYANO-2- (PHENYL) ETHYL] -2-AZABICYCLO [2.2.1] HEPTANE-3-CARBOXAMIDE INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-03-28 WO disclosed
US-5412145-A P2'-modified hydroxamic acid collagenase inhibitors BRITISH BIO-TECHNOLOGY LIMITED (GB) 1995-05-02 US disclosed
US-5300674-A P2'-modified hydroxamic acid collagenase inhibitors BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-04-05 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-20200339562-A1 COVALENT BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN CTSS 2152/4885CTSK 1208/4885CTSB 1309/4885

“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.