SCHEMBL12929565

SCHEMBL12929565

O=C(C1CCN(CS(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1)N1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.43
▸ CHRNA3 P32297 1/20 0.43
▸ CHRNA4 P43681 1/20 0.43
▸ CHRNB3 Q05901 1/20 0.43
▸ CHRNA6 Q15825 1/20 0.43
▸ F2 P00734 1/20 0.42
▸ F10 P00742 1/20 0.42
▸ PLG P00747 1/20 0.42
▸ PLAU P00749 1/20 0.42
▸ ST14 Q9Y5Y6 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CCR5 P51681 2/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ RORC P51449 1/20 0.40
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HPGD P15428 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
SCHEMBL12929570 0.91 NPSR1 (0.43) F2F10PLGPLAUST14
SCHEMBL12929568 0.86 LMNA (0.51) F2F10PLGPLAUST14
SCHEMBL12929559 0.85 F2 (0.46) F2F10PLGPLAUST14
SCHEMBL12929569 0.82 F2 (0.45) F2F10PLGPLAUST14
SCHEMBL19308216 0.81 CHRNB2 (0.49) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL12929561 0.78 LMNA (0.46) F2F10PLGPLAUST14
SCHEMBL19308218 0.76 LMNA (0.44) F2F10PLGPLAUST14
SCHEMBL13222794 0.74 F2 (0.48) F2F10PLGPLAUST14
SCHEMBL12929500 0.73 SMN1; SMN2 (0.43) F2F10PLGPLAUST14
SCHEMBL12929547 0.72 LMNA (0.50) LMNAHTTALDH1A1NPSR1RORC

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 CHRNB2 4388/4885CHRNA3 4293/4885CHRNA4 4700/4885
US-20110002992-A1 N-SULPHONYLATED AMINO ACID DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF DNPEP, ANPEP, PEPD CHRNB2 4388/4885CHRNA3 4293/4885CHRNA4 4700/4885
US-20170314023-A1 MATRIPTASE INHIBITORS AND USES THEREOF AGAINST ORTHOMYXOVIRIDAE INFECTIONS MMP7, MATR3, ADAMTS1 CHRNB2 4840/4885CHRNA3 4727/4885CHRNA4 4853/4885

“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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