SCHEMBL24209448

SCHEMBL24209448

CC1CNc2c(cccc2S(=O)(=O)N[C@@H](CCCN=C(N)N)C(=O)N2CC[C@@H](C)C[C@@H]2C(N)=O)C1

nearest known ligand 0.90

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.90
PRSS1 P07477 2/20 0.90
F10 P00742 2/20 0.90
LMNA P02545 1/20 0.90
PLAT P00750 1/20 0.90
PRSS2 P07478 1/20 0.90
PRSS3 P35030 1/20 0.90

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
Argatroban SCHEMBL22974994 0.95 F2 (1.00) F2PRSS1F10LMNAPLAT
Argatroban SCHEMBL20567702 0.95 F2 (1.00) F2PRSS1F10LMNAPLAT
Argatroban SCHEMBL18895186 0.95 F2 (1.00) F2PRSS1F10LMNAPLAT
Argatroban SCHEMBL4375 0.95 F2 (1.00) F2PRSS1F10LMNAPLAT
Argatroban SCHEMBL29741503 0.95 F2 (1.00) F2PRSS1F10LMNAPLAT
Argatroban SCHEMBL135173 0.95 F2 (1.00) F2PRSS1F10LMNAPLAT
Argatroban SCHEMBL15019460 0.95 F2 (1.00) F2PRSS1F10LMNAPLAT
Argatroban SCHEMBL20787652 0.94 F2 (0.99) F2PRSS1F10LMNAPLAT
Argatroban SCHEMBL29618936 0.94 F2 (0.99) F2PRSS1F10LMNAPLAT
SCHEMBL18584076 0.88 F2 (0.74) F2PRSS1F10LMNAPLAT

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-20220017471-A1 FUNCTIONALITY INDEPENDENT LABELING OF ORGANIC COMPOUNDS UNIV SHANGHAI TECHNOLOGY (CN) 2022-01-20 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-20220017471-A1 FUNCTIONALITY INDEPENDENT LABELING OF ORGANIC COMPOUNDS PAICS, PFAS, OTC F2 799/4885PRSS1 4830/4885F10 3475/4885

“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.