SCHEMBL12929508

SCHEMBL12929508

NCCC(=O)N1CCN(CS(=O)(=O)Cc2ccc3ccccc3c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.48
▸ SIGMAR1 Q99720 2/20 0.47
▸ MC4R P32245 1/20 0.45
▸ MC5R P33032 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ PKM P14618 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ DPP8 Q6V1X1 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ FAAH O00519 2/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ F2 P00734 1/20 0.42
▸ PLG P00747 1/20 0.42
▸ PLAU P00749 1/20 0.42
▸ ST14 Q9Y5Y6 1/20 0.42
▸ NPC1 O15118 1/20 0.41

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
SCHEMBL12929510 0.85 MC4R (0.47) POLBMC4RMC5RALDH1A1PKM
SCHEMBL12929490 0.81 ALDH1A1 (0.57) SIGMAR1ALDH1A1PKMHTTLMNA
SCHEMBL12929486 0.78 ALDH1A1 (0.53) SIGMAR1ALDH1A1PKMHTTLMNA
SCHEMBL12929538 0.72 ALDH1A1 (0.58) SIGMAR1ALDH1A1PKMHTTLMNA
SCHEMBL13222754 0.70 PKM (0.46) POLBALDH1A1PKMHTTLMNA
SCHEMBL27450675 0.70 CYP1A2 (0.54) SIGMAR1MC4RMC5RLMNAKMT2A
SCHEMBL19308204 0.69 ALDH1A1 (0.51) ALDH1A1PKMHTTLMNAGAA
SCHEMBL16578041 0.69 HSD11B1 (0.69) SIGMAR1MC4RMC5RALDH1A1LMNA
SCHEMBL15224106 0.69 SIGMAR1 (0.69) POLBSIGMAR1ALDH1A1HTTLMNA
SCHEMBL12929497 0.68 SIGMAR1 (0.51) POLBSIGMAR1ALDH1A1HTTLMNA

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 POLB 3976/4885SIGMAR1 2906/4885MC4R 2519/4885
US-20110002992-A1 N-SULPHONYLATED AMINO ACID DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF DNPEP, ANPEP, PEPD POLB 3976/4885SIGMAR1 2906/4885MC4R 2519/4885
US-20170314023-A1 MATRIPTASE INHIBITORS AND USES THEREOF AGAINST ORTHOMYXOVIRIDAE INFECTIONS MMP7, MATR3, ADAMTS1 POLB 3504/4885SIGMAR1 4360/4885MC4R 2143/4885

“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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