SCHEMBL12929570

SCHEMBL12929570

O=C(C1CCNCC1)N1CCN(CS(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ CNR1 P21554 4/20 0.41
▸ HSD11B1 P28845 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ F10 P00742 1/20 0.40
▸ PLG P00747 1/20 0.40
▸ PLAU P00749 1/20 0.40
▸ ST14 Q9Y5Y6 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ RORC P51449 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TPSAB1 Q15661 1/20 0.39
▸ TPSD1 Q9BZJ3 1/20 0.39
▸ TPSG1 Q9NRR2 1/20 0.39
▸ CCR5 P51681 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
SCHEMBL12929565 0.91 CHRNB2 (0.43) NPSR1ALDH1A1LMNAHTTF2
SCHEMBL12929569 0.84 F2 (0.45) NPSR1ALDH1A1LMNAHTTHSD11B1
SCHEMBL12929568 0.84 LMNA (0.51) NPSR1ALDH1A1LMNAHTTF2
SCHEMBL12929559 0.83 F2 (0.46) NPSR1ALDH1A1LMNAHTTHSD11B1
SCHEMBL19308218 0.81 LMNA (0.44) NPSR1ALDH1A1LMNAHTTCNR1
SCHEMBL13222794 0.78 F2 (0.48) NPSR1ALDH1A1LMNAHTTF2
SCHEMBL12929500 0.78 SMN1; SMN2 (0.43) ALDH1A1LMNAHTTF2F10
SCHEMBL19308216 0.76 CHRNB2 (0.49) NPSR1ALDH1A1LMNAHTTCNR1
SCHEMBL12929572 0.76 F2 (0.43) ALDH1A1LMNAHTTF2F10
SCHEMBL12929561 0.74 LMNA (0.46) NPSR1ALDH1A1LMNAHTTF2

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 NPSR1 1045/4885ALDH1A1 1899/4885LMNA 854/4885
US-20110002992-A1 N-SULPHONYLATED AMINO ACID DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF DNPEP, ANPEP, PEPD NPSR1 1045/4885ALDH1A1 1899/4885LMNA 854/4885
US-20170314023-A1 MATRIPTASE INHIBITORS AND USES THEREOF AGAINST ORTHOMYXOVIRIDAE INFECTIONS MMP7, MATR3, ADAMTS1 NPSR1 3001/4885ALDH1A1 3895/4885LMNA 3418/4885

“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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