SCHEMBL12929468

SCHEMBL12929468

NCCC(=O)N1CCN(CS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.44
▸ ALDH1A1 P00352 7/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ F2 P00734 2/20 0.42
▸ F10 P00742 2/20 0.42
▸ PLG P00747 2/20 0.42
▸ PLAU P00749 2/20 0.42
▸ ST14 Q9Y5Y6 2/20 0.42
▸ GAA P10253 2/20 0.41
▸ PKM P14618 2/20 0.41
▸ NPC1 O15118 4/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ HTT P42858 2/20 0.39
▸ POLB P06746 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL12929465 0.87 F2 (0.49) ALDH1A1KMT2AMEN1F2F10
SCHEMBL12929473 0.85 F10 (0.44) ALDH1A1KMT2AMEN1F2F10
SCHEMBL12929490 0.83 ALDH1A1 (0.57) SIGMAR1ALDH1A1KMT2AMEN1F10
SCHEMBL12929486 0.82 ALDH1A1 (0.53) SIGMAR1ALDH1A1KMT2AMEN1F10
SCHEMBL12929497 0.81 SIGMAR1 (0.51) SIGMAR1ALDH1A1KMT2AMEN1NPC1
SCHEMBL12929492 0.79 NPC1 (0.49) SIGMAR1ALDH1A1KMT2AMEN1GAA
SCHEMBL12929512 0.79 KMT2A (0.39) ALDH1A1KMT2AMEN1F2F10
SCHEMBL12929518 0.76 F2 (0.55) ALDH1A1KMT2AMEN1F2F10
SCHEMBL12929499 0.76 MEN1 (0.50) SIGMAR1ALDH1A1KMT2AMEN1NPC1
SCHEMBL12929538 0.75 ALDH1A1 (0.58) SIGMAR1ALDH1A1KMT2AMEN1GAA

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 6 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-9752149-B2 Matriptase inhibitors and uses thereof against orthomyxoviridae infections SOCPRA Sciences Sante et Humaines S.E.C. (CA) 2017-09-05 — — 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 SIGMAR1 2906/4885ALDH1A1 1899/4885KMT2A 2101/4885
US-20110002992-A1 N-SULPHONYLATED AMINO ACID DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF DNPEP, ANPEP, PEPD SIGMAR1 2906/4885ALDH1A1 1899/4885KMT2A 2101/4885
US-20170314023-A1 MATRIPTASE INHIBITORS AND USES THEREOF AGAINST ORTHOMYXOVIRIDAE INFECTIONS MMP7, MATR3, ADAMTS1 SIGMAR1 4360/4885ALDH1A1 3895/4885KMT2A 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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