SCHEMBL24322780

SCHEMBL24322780

C[C@H]1CCN(C(=O)[C@H](N)CCCNC(=N)N)[C@@H](C(=O)O)C1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.42
DPP4 P27487 1/20 0.41
PRSS1 P07477 2/20 0.37
F10 P00742 2/20 0.37
LMNA P02545 1/20 0.37
PLAT P00750 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37

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
SCHEMBL24322903 0.87 DPP4 (0.42) F2DPP4
SCHEMBL12986835 0.85 F2 (0.38) F2DPP4PRSS1F10LMNA
SCHEMBL12986829 0.85 F2 (0.38) F2DPP4PRSS1F10LMNA
SCHEMBL12985686 0.85 F2 (0.38) F2DPP4PRSS1F10LMNA
SCHEMBL12989245 0.85 F2 (0.38) F2DPP4PRSS1F10LMNA
SCHEMBL15610636 0.85 F2 (0.38) F2DPP4PRSS1F10LMNA
Hydrochloric Acid SCHEMBL15610585 0.84 F2 (0.38) F2DPP4PRSS1F10LMNA
Hydrochloric Acid SCHEMBL15610364 0.84 F2 (0.38) F2DPP4PRSS1F10LMNA
Hydrochloric Acid SCHEMBL20491373 0.84 F2 (0.38) F2DPP4PRSS1F10LMNA
SCHEMBL4441005 0.84 DPP4 (0.44) DPP4PRSS1

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-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof Psomagen Inc. (US) 2022-04-21 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-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof HTRA1, GIPR, HPN F2 3514/4885DPP4 532/4885PRSS1 112/4885

“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.