SCHEMBL12929522

SCHEMBL12929522

N=C(N)NCCNC(=O)C1CCN(CS(=O)(=O)c2ccc3c(c2)C(O)c2ccccc2C3O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 5/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ F2 P00734 1/20 0.38
▸ F10 P00742 1/20 0.38
▸ PLG P00747 1/20 0.38
▸ PLAU P00749 1/20 0.38
▸ ST14 Q9Y5Y6 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CYP2C19 P33261 1/20 0.37
▸ TSHR P16473 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36

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
SCHEMBL12929521 0.84 F10 (0.51) ALDH1A1GAAKMT2AMEN1F2
SCHEMBL19308194 0.82 MTNR1A (0.38) ALDH1A1GAAKMT2AMEN1F2
SCHEMBL12929530 0.77 F2 (0.45) ALDH1A1F2F10HPGD
SCHEMBL12929552 0.73 F10 (0.49) ALDH1A1GAAKMT2AMEN1F10
SCHEMBL12929518 0.73 F2 (0.55) ALDH1A1GAAKMT2AMEN1F2
SCHEMBL12929586 0.72 ACHE (0.38) CHRM4
SCHEMBL12929532 0.71 HDAC3 (0.45) ALDH1A1KMT2AF2F10PLG
SCHEMBL12929516 0.71 PLG (0.49) F2F10PLGPLAUST14
SCHEMBL17826519 0.67 CHRM4 (0.50) ALDH1A1CHRM4F2F10PLG
SCHEMBL12929491 0.67 ALDH1A1 (0.49) ALDH1A1GAAKMT2AMEN1F2

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 ALDH1A1 1899/4885GAA 597/4885KMT2A 2101/4885
US-20110002992-A1 N-SULPHONYLATED AMINO ACID DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF DNPEP, ANPEP, PEPD ALDH1A1 1899/4885GAA 597/4885KMT2A 2101/4885
US-20170314023-A1 MATRIPTASE INHIBITORS AND USES THEREOF AGAINST ORTHOMYXOVIRIDAE INFECTIONS MMP7, MATR3, ADAMTS1 ALDH1A1 3895/4885GAA 1611/4885KMT2A 1904/4885

“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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