SCHEMBL12929569

SCHEMBL12929569

N=C(N)N1CCC(C(=O)N2CCN(CS(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.45
▸ F10 P00742 2/20 0.45
▸ PLG P00747 2/20 0.45
▸ PLAU P00749 2/20 0.45
▸ ST14 Q9Y5Y6 2/20 0.45
▸ CA12 O43570 3/20 0.42
▸ CA1 P00915 3/20 0.42
▸ CA2 P00918 3/20 0.42
▸ CA9 Q16790 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HSD11B1 P28845 1/20 0.41
▸ RORC P51449 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL12929559 0.97 F2 (0.46) F2F10PLGPLAUST14
SCHEMBL13222794 0.92 F2 (0.48) F2F10PLGPLAUST14
SCHEMBL12929570 0.84 NPSR1 (0.43) F2F10PLGPLAUST14
SCHEMBL19308219 0.83 F2 (0.46) F2F10PLGPLAUST14
SCHEMBL12929561 0.82 LMNA (0.46) F2F10PLGPLAUST14
SCHEMBL12929565 0.82 CHRNB2 (0.43) F2F10PLGPLAUST14
SCHEMBL12929572 0.82 F2 (0.43) F2F10PLGPLAUST14
SCHEMBL19308210 0.81 F2 (0.48) F2F10PLGPLAUST14
SCHEMBL12929501 0.78 F2 (0.43) F2F10PLGPLAUST14
SCHEMBL12929500 0.78 SMN1; SMN2 (0.43) F2F10PLGPLAUST14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170314023-A1 MATRIPTASE INHIBITORS AND USES THEREOF AGAINST ORTHOMYXOVIRIDAE INFECTIONS UNIVERSITE DE SHERBROOKE (CA) 2017-11-02 — — US disclosed
US-9365853-B2 Matriptase inhibitors and uses thereof against orthomyxoviridae infections SOCPRA Sciences Sante et Humaines S.E.C. 2016-06-14 — — US disclosed
US-20110002992-A1 N-SULPHONYLATED AMINO ACID DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2011-01-06 — — US disclosed
US-7772251-B2 N-sulphonylated amino acid derivatives, method for the production and use thereof THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2010-08-10 — — US disclosed
US-20070055065-A1 N-sulphonylated amino acid derivatives, method for the production and use thereof CURACYTE CHEMISTRY GMBH (DE) 2007-03-08 — — 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-20070055065-A1 N-sulphonylated amino acid derivatives, method for the production and use thereof DNPEP, ANPEP, PEPD F2 954/4885F10 1803/4885PLG 160/4885
US-20110002992-A1 N-SULPHONYLATED AMINO ACID DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF DNPEP, ANPEP, PEPD F2 954/4885F10 1803/4885PLG 160/4885
US-20170314023-A1 MATRIPTASE INHIBITORS AND USES THEREOF AGAINST ORTHOMYXOVIRIDAE INFECTIONS MMP7, MATR3, ADAMTS1 F2 995/4885F10 321/4885PLG 401/4885

“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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