SCHEMBL19544579

SCHEMBL19544579

C=CC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(C#N)cc2)C(=O)NC)C[C@@H]2CCCC[C@@H]21

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 10/20 0.40
▸ KCNH2 Q12809 3/20 0.39
▸ CTSK P43235 1/20 0.39
▸ FPR1 P21462 4/20 0.38
▸ FPR2 P25090 4/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ TACR1 P25103 1/20 0.37
▸ HSD11B1 P28845 1/20 0.36
▸ DPP4 P27487 2/20 0.36
▸ DPP8 Q6V1X1 1/20 0.36
▸ DPP9 Q86TI2 1/20 0.36
▸ DPP7 Q9UHL4 1/20 0.36

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
SCHEMBL19544843 1.00 CTSC (0.40) CTSCKCNH2CTSKFPR1FPR2
SCHEMBL22582613 1.00 CTSC (0.40) CTSCKCNH2CTSKFPR1FPR2
SCHEMBL19521201 0.89 CTSC (0.42) CTSCKCNH2CTSKFPR1FPR2
SCHEMBL19521205 0.89 CTSC (0.42) CTSCKCNH2CTSKFPR1FPR2
SCHEMBL19544840 0.85 YAP1 (0.39) CTSCCTSKFPR1FPR2
SCHEMBL19544844 0.85 YAP1 (0.39) CTSCCTSKFPR1FPR2
SCHEMBL19521207 0.83 SLC6A3 (0.36) CTSCKCNH2CTSKHSD11B1
SCHEMBL19544833 0.75 CHRM3 (0.38) CTSCFPR1FPR2CHRM3DPP4
SCHEMBL19544841 0.75 CTSC (0.69) CTSCKCNH2CTSKFPR1FPR2
SCHEMBL19544837 0.73 PIN1 (0.38) FPR1FPR2CHRM3

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 3 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
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 620/4885KCNH2 2703/4885CTSK 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.

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