SCHEMBL12929547

SCHEMBL12929547

NCCC1CCN(CS(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ APOBEC3A P31941 1/20 0.45
▸ APOBEC3G Q9HC16 1/20 0.45
▸ TSHR P16473 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ RORC P51449 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ PTGES2 Q9H7Z7 1/20 0.37
▸ TRIM24 O15164 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
SCHEMBL12929549 0.82 LMNA (0.43) LMNAHTTSMN1; SMN2APOBEC3AAPOBEC3G
SCHEMBL12929568 0.79 LMNA (0.51) LMNAHTTSMN1; SMN2APOBEC3AAPOBEC3G
SCHEMBL12929561 0.79 LMNA (0.46) LMNAHTTSMN1; SMN2APOBEC3AAPOBEC3G
SCHEMBL12929500 0.79 SMN1; SMN2 (0.43) LMNAHTTSMN1; SMN2APOBEC3AAPOBEC3G
SCHEMBL13222794 0.77 F2 (0.48) LMNAHTTSMN1; SMN2APOBEC3AAPOBEC3G
SCHEMBL19308207 0.76 LMNA (0.44) LMNAHTTSMN1; SMN2APOBEC3AAPOBEC3G
SCHEMBL12929528 0.75 BCHE (0.47) LMNAHTTSMN1; SMN2TSHRMEN1
SCHEMBL11775347 0.74 LMNA (0.50) LMNAHTTSMN1; SMN2APOBEC3AAPOBEC3G
SCHEMBL12929559 0.73 F2 (0.46) LMNAHTTSMN1; SMN2TSHRNPSR1
SCHEMBL12929572 0.72 F2 (0.43) LMNAHTTSMN1; SMN2APOBEC3AAPOBEC3G

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 LMNA 854/4885HTT 779/4885SMN1; SMN2 1094/4885
US-20110002992-A1 N-SULPHONYLATED AMINO ACID DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF DNPEP, ANPEP, PEPD LMNA 854/4885HTT 779/4885SMN1; SMN2 1094/4885
US-20170314023-A1 MATRIPTASE INHIBITORS AND USES THEREOF AGAINST ORTHOMYXOVIRIDAE INFECTIONS MMP7, MATR3, ADAMTS1 LMNA 3418/4885HTT 3783/4885SMN1; SMN2 2189/4885

“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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