SCHEMBL19544837

SCHEMBL19544837

C=CC(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H](Cc1ccc(C#N)cc1)C(=O)NC

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 13/20 0.38
▸ CHRM3 P20309 1/20 0.37
▸ ITGB1 P05556 1/20 0.35
▸ ITGAV P06756 1/20 0.35
▸ FPR1 P21462 2/20 0.35
▸ FPR2 P25090 2/20 0.35

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
SCHEMBL19544833 0.79 CHRM3 (0.38) PIN1CHRM3FPR1FPR2
SCHEMBL19544843 0.73 CTSC (0.40) CHRM3FPR1FPR2
SCHEMBL19544579 0.73 CTSC (0.40) CHRM3FPR1FPR2
SCHEMBL22582613 0.73 CTSC (0.40) CHRM3FPR1FPR2
SCHEMBL19521217 0.69 MMP9 (0.47) PIN1FPR1FPR2
SCHEMBL19521215 0.69 MMP9 (0.47) PIN1FPR1FPR2
SCHEMBL19544842 0.68 SAE1 (0.50) CHRM3FPR1FPR2
SCHEMBL19521201 0.65 CTSC (0.42) PIN1CHRM3FPR1FPR2
SCHEMBL19521205 0.65 CTSC (0.42) PIN1CHRM3FPR1FPR2
SCHEMBL19544841 0.64 CTSC (0.69) FPR1FPR2

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 PIN1 1079/4885CHRM3 3910/4885ITGB1 1615/4885

“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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