SCHEMBL22803390

SCHEMBL22803390

C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)C(C)(C)CCOC(C)(C)CCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 1/20 0.47
▸ F2 P00734 1/20 0.45
▸ PLG P00747 1/20 0.45
▸ PRSS1 P07477 1/20 0.45
▸ PRSS2 P07478 1/20 0.45
▸ PRSS3 P35030 1/20 0.45
▸ TPSAB1 Q15661 1/20 0.45
▸ FOLH1 Q04609 9/20 0.45
▸ TDP1 Q9NUW8 1/20 0.43
▸ CAPN1 P07384 2/20 0.41
▸ LCK P06239 1/20 0.38
▸ RAMP3 O60896 5/20 0.38
▸ CALCR P30988 5/20 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
SCHEMBL20705971 0.92 PIN1 (0.48) PIN1F2PLGPRSS1PRSS2
SCHEMBL22803360 0.81 PRSS1 (0.52) PIN1F2PLGPRSS1PRSS2
SCHEMBL30128547 0.76 PLG (0.47) PIN1F2PLGPRSS1PRSS2
SCHEMBL6176082 0.75 RAMP3 (0.54) RAMP3CALCR
SCHEMBL26585156 0.74 TDP1 (0.56) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL7113668 0.73 FOLH1 (0.50) PIN1F2PLGPRSS1PRSS2
SCHEMBL31378126 0.73 TDP1 (0.66) FOLH1TDP1CAPN1
SCHEMBL24067574 0.73 TDP1 (0.55) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL6176075 0.73 RAMP3 (0.52) RAMP3CALCR
SCHEMBL22803169 0.72 NRP1 (0.45) RAMP3CALCR

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 PIN1 1869/4885F2 3188/4885PLG 1135/4885

“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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