SCHEMBL12929530

SCHEMBL12929530

N=C(N)CCNC(=O)C1CCN(CS(=O)(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 7/20 0.45
▸ F10 P00742 3/20 0.44
▸ CAPN1 P07384 1/20 0.44
▸ EIF2AK3 Q9NZJ5 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ TPSAB1 Q15661 1/20 0.41
▸ AKR1C3 P42330 1/20 0.41
▸ AKR1C1 Q04828 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 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
SCHEMBL12929552 0.86 F10 (0.49) F10CAPN1EIF2AK3ALDH1A1HTT
SCHEMBL13222779 0.83 F2 (0.50) F2F10ALDH1A1TPSAB1HDAC3
SCHEMBL19308197 0.82 HDAC3 (0.46) F2F10CAPN1EIF2AK3ALDH1A1
SCHEMBL12929532 0.79 HDAC3 (0.45) F2F10ALDH1A1HTTTPSAB1
SCHEMBL12929491 0.78 ALDH1A1 (0.49) F2F10ALDH1A1HTTLMNA
SCHEMBL19542471 0.78 NPC1 (0.46) F10CAPN1HTTLMNA
SCHEMBL12929521 0.78 F10 (0.51) F2F10ALDH1A1HPGD
SCHEMBL12929522 0.77 ALDH1A1 (0.39) F2F10ALDH1A1HPGD
SCHEMBL12929584 0.76 F2 (0.52) F2F10ALDH1A1HTTAKR1C3
SCHEMBL12929574 0.76 ALDH1A1 (0.54) F2F10ALDH1A1HTTLMNA

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 F2 954/4885F10 1803/4885CAPN1 471/4885
US-20110002992-A1 N-SULPHONYLATED AMINO ACID DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF DNPEP, ANPEP, PEPD F2 954/4885F10 1803/4885CAPN1 471/4885
US-20170314023-A1 MATRIPTASE INHIBITORS AND USES THEREOF AGAINST ORTHOMYXOVIRIDAE INFECTIONS MMP7, MATR3, ADAMTS1 F2 995/4885F10 321/4885CAPN1 1251/4885

“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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