SCHEMBL20519813

SCHEMBL20519813

CC(C)(C)OC(=O)NCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 2/20 0.62
▸ PRSS2 P07478 2/20 0.62
▸ PRSS3 P35030 2/20 0.62
▸ TPSAB1 Q15661 2/20 0.62
▸ F2 P00734 1/20 0.62
▸ FOLH1 Q04609 7/20 0.61
▸ PKM P14618 2/20 0.59
▸ HSP90AB1 P08238 1/20 0.55
▸ TDP1 Q9NUW8 3/20 0.54
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ GBA1 P04062 1/20 0.50
▸ MDK P21741 1/20 0.49
▸ PLG P00747 1/20 0.49

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
SCHEMBL269540 0.97 F2 (0.65) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL19679441 0.97 F2 (0.65) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL30062300 0.97 F2 (0.65) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL1164840 0.97 F2 (0.65) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL30904598 0.96 F2 (0.64) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL13041591 0.93 F2 (0.60) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL15258705 0.93 F2 (0.60) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL31135781 0.93 TDP1 (0.61) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL31135784 0.93 TDP1 (0.61) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL30735993 0.93 TDP1 (0.61) PRSS1PRSS2PRSS3TPSAB1F2

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-20210369850-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF Centauri Therapeutics Limited (GB/GB) (GB) 2021-12-02 — — US disclosed
US-10953100-B2 Compounds and therapeutic uses thereof CENTUARI THERAPEUTICS LIMITED (GB/GB) (GB) 2021-03-23 — — US disclosed
US-20180280521-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF CENTUARI THERAPEUTICS LIMITED (GB/GB) (GB) 2018-10-04 — — 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 (3 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-20210369850-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF CD47, MYD88, NFATC1 PRSS1 3209/4885PRSS2 3161/4885PRSS3 3932/4885
US-10953100-B2 Compounds and therapeutic uses thereof CD47, MYD88, NFATC1 PRSS1 3209/4885PRSS2 3161/4885PRSS3 3932/4885
US-20180280521-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF CD47, MYD88, NFATC1 PRSS1 3209/4885PRSS2 3161/4885PRSS3 3932/4885

“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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