SCHEMBL12929490

SCHEMBL12929490

NCCC(=O)N1CCN(CS(=O)(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.57
▸ HTT P42858 3/20 0.57
▸ PKM P14618 6/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ LMNA P02545 3/20 0.49
▸ GAA P10253 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MAPT P10636 3/20 0.47
▸ SIGMAR1 Q99720 1/20 0.46
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA7 P43166 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ F10 P00742 2/20 0.43

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
SCHEMBL12929486 0.96 ALDH1A1 (0.53) ALDH1A1HTTPKMMEN1RAB9A
SCHEMBL12929538 0.91 ALDH1A1 (0.58) ALDH1A1HTTPKMMEN1RAB9A
SCHEMBL12929491 0.85 ALDH1A1 (0.49) ALDH1A1HTTPKMMEN1RAB9A
SCHEMBL12929574 0.85 ALDH1A1 (0.54) ALDH1A1HTTPKMMEN1RAB9A
SCHEMBL12929468 0.83 SIGMAR1 (0.44) ALDH1A1HTTPKMMEN1RAB9A
SCHEMBL12929497 0.82 SIGMAR1 (0.51) ALDH1A1HTTMEN1RAB9AKMT2A
SCHEMBL12929489 0.82 ALDH1A1 (0.46) ALDH1A1HTTPKMMEN1RAB9A
SCHEMBL12929492 0.81 NPC1 (0.49) ALDH1A1HTTMEN1RAB9AKMT2A
SCHEMBL12929508 0.81 POLB (0.48) ALDH1A1HTTPKMMEN1RAB9A
SCHEMBL13222754 0.79 PKM (0.46) ALDH1A1HTTPKMMEN1RAB9A

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 ALDH1A1 1899/4885HTT 779/4885PKM 1805/4885
US-20110002992-A1 N-SULPHONYLATED AMINO ACID DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF DNPEP, ANPEP, PEPD ALDH1A1 1899/4885HTT 779/4885PKM 1805/4885
US-20170314023-A1 MATRIPTASE INHIBITORS AND USES THEREOF AGAINST ORTHOMYXOVIRIDAE INFECTIONS MMP7, MATR3, ADAMTS1 ALDH1A1 3895/4885HTT 3783/4885PKM 2844/4885

“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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