SCHEMBL20519904

SCHEMBL20519904

O=C(O)COc1cc(OCC(=O)O)cc(C(=O)NCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 8/20 0.59
PKM P14618 2/20 0.57
PRSS1 P07477 2/20 0.56
PRSS2 P07478 2/20 0.56
PRSS3 P35030 2/20 0.56
TPSAB1 Q15661 2/20 0.56
F2 P00734 1/20 0.56
CSNK2A2 P19784 1/20 0.55
CSNK2B P67870 1/20 0.55
CSNK2A1 P68400 1/20 0.55
CAMK2B Q13554 1/20 0.55
PLG P00747 1/20 0.53
L3MBTL3 Q96JM7 1/20 0.52
HSP90AB1 P08238 1/20 0.52
GBA1 P04062 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
SORT1 Q99523 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
SCHEMBL18736240 0.99 FOLH1 (0.58) FOLH1PKMPRSS1PRSS2PRSS3
SCHEMBL20519968 0.95 FOLH1 (0.60) FOLH1PKMPRSS1PRSS2PRSS3
SCHEMBL18736244 0.94 TDP1 (0.56) FOLH1PKMPRSS1PRSS2PRSS3
SCHEMBL20519815 0.93 FOLH1 (0.57) FOLH1PKMPRSS1PRSS2PRSS3
SCHEMBL18705344 0.92 CSNK2A2 (0.57) FOLH1PKMPRSS1PRSS2PRSS3
SCHEMBL18705346 0.91 TDP1 (0.53) FOLH1PKMPRSS1PRSS2PRSS3
SCHEMBL20519809 0.90 PRSS1 (0.58) FOLH1PKMPRSS1PRSS2PRSS3
SCHEMBL23125939 0.89 TDP1 (0.51) FOLH1PKMPRSS1PRSS2PRSS3
SCHEMBL20519818 0.89 FOLH1 (0.53) FOLH1PKMPRSS1PRSS2PRSS3
SCHEMBL20520180 0.89 PRSS1 (0.55) FOLH1PKMPRSS1PRSS2PRSS3

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 FOLH1 680/4885PKM 2743/4885PRSS1 3209/4885
US-10953100-B2 Compounds and therapeutic uses thereof CD47, MYD88, NFATC1 FOLH1 680/4885PKM 2743/4885PRSS1 3209/4885
US-20180280521-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF CD47, MYD88, NFATC1 FOLH1 680/4885PKM 2743/4885PRSS1 3209/4885

“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.