SCHEMBL12929568

SCHEMBL12929568

O=S(=O)(CN1CCNCC1)c1ccc(C2CCCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.51
▸ HTT P42858 2/20 0.51
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ APOBEC3A P31941 1/20 0.46
▸ APOBEC3G Q9HC16 1/20 0.46
▸ RORC P51449 1/20 0.42
▸ TSHR P16473 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ ATM Q13315 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
▸ THRB P10828 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 0.86 CHRNB2 (0.43) LMNAHTTSMN1; SMN2RORCNPSR1
SCHEMBL12929570 0.84 NPSR1 (0.43) LMNAHTTSMN1; SMN2RORCTSHR
SCHEMBL12929547 0.79 LMNA (0.50) LMNAHTTSMN1; SMN2APOBEC3AAPOBEC3G
SCHEMBL16026452 0.78 LMNA (0.77) LMNAHTTSMN1; SMN2APOBEC3AAPOBEC3G
SCHEMBL12929561 0.78 LMNA (0.46) LMNAHTTSMN1; SMN2APOBEC3AAPOBEC3G
SCHEMBL13222794 0.78 F2 (0.48) LMNAHTTSMN1; SMN2APOBEC3AAPOBEC3G
SCHEMBL5280569 0.76 HTR6 (0.50) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL12929500 0.75 SMN1; SMN2 (0.43) LMNAHTTSMN1; SMN2APOBEC3AAPOBEC3G
SCHEMBL22375323 0.75 CXCR4 (0.58) MEN1KMT2AHRH3
SCHEMBL26014815 0.75 CXCR4 (0.58) MEN1KMT2AHRH3

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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