SCHEMBL19521205

SCHEMBL19521205

CNC(=O)C(Cc1ccc(C#N)cc1)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 9/20 0.42
▸ FPR1 P21462 4/20 0.40
▸ FPR2 P25090 4/20 0.40
▸ TACR1 P25103 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ KCNH2 Q12809 3/20 0.39
▸ CTSK P43235 1/20 0.39
▸ F2 P00734 3/20 0.38
▸ PIN1 Q13526 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
SCHEMBL19521201 1.00 CTSC (0.42) CTSCFPR1FPR2TACR1CHRM3
SCHEMBL19544843 0.89 CTSC (0.40) CTSCFPR1FPR2TACR1CHRM3
SCHEMBL19544579 0.89 CTSC (0.40) CTSCFPR1FPR2TACR1CHRM3
SCHEMBL22582613 0.89 CTSC (0.40) CTSCFPR1FPR2TACR1CHRM3
SCHEMBL19544840 0.88 YAP1 (0.39) CTSCFPR1FPR2CTSK
SCHEMBL19544844 0.88 YAP1 (0.39) CTSCFPR1FPR2CTSK
SCHEMBL19521180 0.81 PTGER4 (0.39) CTSCCTSKF2
SCHEMBL19544841 0.77 CTSC (0.69) CTSCFPR1FPR2KCNH2CTSK
SCHEMBL19521215 0.74 MMP9 (0.47) FPR1FPR2CTSKPIN1
SCHEMBL19521217 0.74 MMP9 (0.47) FPR1FPR2CTSKPIN1

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 620/4885FPR1 1139/4885FPR2 1189/4885

“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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