SCHEMBL19544841

SCHEMBL19544841

CNC(=O)[C@H](Cc1ccc(C#N)cc1)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 15/20 0.69
▸ EED O75530 3/20 0.49
▸ CTSK P43235 3/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ FPR1 P21462 2/20 0.43
▸ FPR2 P25090 2/20 0.43

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
SCHEMBL27377188 0.80 CTSC (1.00) CTSCCTSKKCNH2
SCHEMBL30738919 0.80 CTSC (1.00) CTSCCTSKKCNH2
SCHEMBL19521201 0.77 CTSC (0.42) CTSCCTSKKCNH2FPR1FPR2
SCHEMBL19521205 0.77 CTSC (0.42) CTSCCTSKKCNH2FPR1FPR2
SCHEMBL10765164 0.76 EED (0.63) CTSCEED
SCHEMBL19544579 0.75 CTSC (0.40) CTSCCTSKKCNH2FPR1FPR2
SCHEMBL19544843 0.75 CTSC (0.40) CTSCCTSKKCNH2FPR1FPR2
SCHEMBL22582613 0.75 CTSC (0.40) CTSCCTSKKCNH2FPR1FPR2
SCHEMBL10761203 0.74 EED (0.60) CTSCEED
SCHEMBL19544844 0.73 YAP1 (0.39) CTSCCTSKFPR1FPR2

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-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

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 CTSC 620/4885EED 3081/4885CTSK 1208/4885

“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.

Send feedback