SCHEMBL13778728

SCHEMBL13778728

CC(=O)C(CCCNC(=N)N)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ CTSK P43235 10/20 0.45
▸ CTSS P25774 5/20 0.45
▸ CAPN1 P07384 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.40
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CTSL P07711 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ ITGB3 P05106 2/20 0.38
▸ ITGA2B P08514 2/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ BTK Q06187 1/20 0.38

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
SCHEMBL12267031 1.00 MEN1 (0.48) MEN1GAAKMT2ACTSKCTSS
SCHEMBL25469335 0.93 MEN1 (0.49) MEN1GAAKMT2ACTSKCTSS
SCHEMBL2367531 0.89 MEN1 (0.55) MEN1GAAKMT2ACTSKCTSS
SCHEMBL1486276 0.89 MEN1 (0.55) MEN1GAAKMT2ACTSKCTSS
SCHEMBL7364210 0.89 MEN1 (0.55) MEN1GAAKMT2ACTSKCTSS
Hydrochloric Acid SCHEMBL10444447 0.88 MEN1 (0.54) MEN1GAAKMT2ACTSKCTSS
Hydrochloric Acid SCHEMBL7264801 0.88 MEN1 (0.54) MEN1GAAKMT2ACTSKCTSS
SCHEMBL28672685 0.88 MEN1 (0.47) MEN1GAAKMT2ACTSKCTSS
Water SCHEMBL10332189 0.88 MEN1 (0.54) MEN1GAAKMT2ACTSKCTSS
Hydrochloric Acid SCHEMBL8630295 0.88 MEN1 (0.54) MEN1GAAKMT2ACTSKCTSS

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170845-A1 USE OF IMIDAZO[2,1-b]-1,3,4-THIADIAZOLE-2-SULFONAMIDE COMPOUNDS TO TREAT NEUROPATHIC PAIN AEGERA THERAPEUTICS INC. (CA) 2009-07-02 — — US disclosed
US-20070112043-A1 Acylated and non-acylated imidazo[2,1-b]-1,3,4,-thiadiazole-2-sulfonamides, and uses thereof AEGERA THERAPEUTICS, INC. (CA) 2007-05-17 — — 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 (2 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-20090170845-A1 USE OF IMIDAZO[2,1-b]-1,3,4-THIADIAZOLE-2-SULFONAMIDE COMPOUNDS TO TREAT NEUROPATHIC PAIN SCN1B, SCN3A, SCN1A MEN1 3389/4885GAA 3944/4885KMT2A 2979/4885
US-20070112043-A1 Acylated and non-acylated imidazo[2,1-b]-1,3,4,-thiadiazole-2-sulfonamides, and uses thereof AADAC, NAT1, PMP22 MEN1 1818/4885GAA 2373/4885KMT2A 415/4885

“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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