SCHEMBL22803360

SCHEMBL22803360

C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(=O)CCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 3/20 0.52
▸ PRSS2 P07478 3/20 0.52
▸ PRSS3 P35030 3/20 0.52
▸ TPSAB1 Q15661 3/20 0.52
▸ PLG P00747 2/20 0.52
▸ F2 P00734 2/20 0.52
▸ FOLH1 Q04609 8/20 0.50
▸ PIN1 Q13526 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.44
▸ CXCR4 P61073 3/20 0.44
▸ HSP90AB1 P08238 1/20 0.42
▸ CAPN1 P07384 2/20 0.42
▸ RAMP3 O60896 1/20 0.41
▸ CALCR P30988 1/20 0.41

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
SCHEMBL20705971 0.88 PIN1 (0.48) PRSS1PRSS2PRSS3TPSAB1PLG
SCHEMBL22803390 0.81 PIN1 (0.47) PRSS1PRSS2PRSS3TPSAB1PLG
SCHEMBL30128547 0.75 PLG (0.47) PRSS1PRSS2PRSS3TPSAB1PLG
SCHEMBL6176075 0.75 RAMP3 (0.52) RAMP3CALCR
SCHEMBL10066225 0.74 FOLH1 (0.61) PRSS1PRSS2PRSS3TPSAB1PLG
SCHEMBL10065714 0.74 PRSS1 (0.50) PRSS1PRSS2PRSS3TPSAB1PLG
SCHEMBL10066201 0.73 PRSS1 (0.49) PRSS1PRSS2PRSS3TPSAB1PLG
SCHEMBL30404662 0.73 OPRM1 (0.48) —
SCHEMBL12985194 0.72 FOLH1 (0.63) PRSS1PRSS2PRSS3TPSAB1PLG
SCHEMBL13311852 0.72 TDP1 (0.55) PRSS1PRSS2PRSS3TPSAB1PLG

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200390895-A1 UNIVERSAL ABT COMPOUNDS AND USES THEREOF KLEO PHARMACEUTICALS, INC. 2020-12-17 — — 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 (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-20200390895-A1 UNIVERSAL ABT COMPOUNDS AND USES THEREOF CD47, MCL1, BCL9 PRSS1 3871/4885PRSS2 4183/4885PRSS3 4340/4885

“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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