SCHEMBL12929587

SCHEMBL12929587

O=S(=O)(CN1CCC(C2CCNCC2)CC1)c1ccc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.54
▸ MLNR O43193 1/20 0.46
▸ MCOLN3 Q8TDD5 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ SLC6A2 P23975 3/20 0.46
▸ SLC6A4 P31645 3/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ F2 P00734 1/20 0.44
▸ F10 P00742 1/20 0.44
▸ PLG P00747 1/20 0.44
▸ PLAU P00749 1/20 0.44
▸ ST14 Q9Y5Y6 1/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HTT P42858 3/20 0.44
▸ MAPT P10636 2/20 0.44

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
SCHEMBL12929584 0.81 F2 (0.52) PKMMCOLN3LMNAALDH1A1KDM4E
SCHEMBL12929528 0.78 BCHE (0.47) PKMMCOLN3LMNAALDH1A1KDM4E
SCHEMBL12929577 0.75 PKM (0.49) PKMMLNRLMNAALDH1A1F10
SCHEMBL19308227 0.75 PKM (0.54) PKMMLNRMCOLN3LMNASLC6A2
SCHEMBL333988 0.71 PKM (1.00) PKMMCOLN3LMNAKMT2ASMN1; SMN2
SCHEMBL3212630 0.71 PKM (0.55) PKMMLNRMCOLN3LMNASLC6A2
SCHEMBL12341270 0.71 PKM (0.71) PKMMCOLN3LMNAALDH1A1KDM4E
SCHEMBL12929532 0.71 HDAC3 (0.45) MCOLN3LMNAALDH1A1KDM4EF2
SCHEMBL12929552 0.70 F10 (0.49) LMNAALDH1A1KDM4EF10KMT2A
SCHEMBL12929538 0.70 ALDH1A1 (0.58) PKMLMNAALDH1A1KDM4EKMT2A

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 PKM 1805/4885MLNR 559/4885MCOLN3 4314/4885
US-20110002992-A1 N-SULPHONYLATED AMINO ACID DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF DNPEP, ANPEP, PEPD PKM 1805/4885MLNR 559/4885MCOLN3 4314/4885
US-20170314023-A1 MATRIPTASE INHIBITORS AND USES THEREOF AGAINST ORTHOMYXOVIRIDAE INFECTIONS MMP7, MATR3, ADAMTS1 PKM 2844/4885MLNR 830/4885MCOLN3 3324/4885

“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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