SCHEMBL20864067

SCHEMBL20864067

NCC(=O)OCc1cc#ccc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CA1 P00915 2/20 0.31
▸ CA2 P00918 2/20 0.31
▸ KMT2A Q03164 2/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ SLC6A3 Q01959 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ MEN1 O00255 1/20 0.30

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
SCHEMBL22930093 0.82 LMNA (0.36) ALDH1A1MAPK1L3MBTL1CA2KMT2A
SCHEMBL24245482 0.73 TPSAB1 (0.43) ALDH1A1CA1CA2
SCHEMBL31171268 0.72 KMT2A (0.57) ALDH1A1MAPK1L3MBTL1CA2KMT2A
SCHEMBL42974 0.72 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1CA1CA2
SCHEMBL21384971 0.71 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1CA1CA2
Bromide SCHEMBL7209454 0.71 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1CA1CA2
Hydrochloric Acid SCHEMBL42973 0.71 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1CA1CA2
SCHEMBL29011017 0.70 ENPP2 (0.50) ALDH1A1MAPK1L3MBTL1
SCHEMBL10676527 0.69 AGXT (0.50) ALDH1A1MAPK1CA1CA2KMT2A
SCHEMBL23049788 0.69 CYP19A1 (0.47) ALDH1A1MAPK1L3MBTL1KMT2ATDP1

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-10308686-B2 Gamma-AApeptides with potent and broad-spectrum antimicrobial activity UNIVERSITY OF SOUTH FLORIDA (US) 2019-06-04 — — US disclosed
US-20190100559-A1 GAMMA-AAPEPTIDES WITH POTENT AND BROAD-SPECTRUM ANTIMICROBIAL ACTIVITY UNIVERSITY OF SOUTH FLORIDA (US) 2019-04-04 — — 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-10308686-B2 Gamma-AApeptides with potent and broad-spectrum antimicrobial activity ANPEP, DNPEP, ENPEP ALDH1A1 2713/4885MAPK1 4334/4885L3MBTL1 1008/4885
US-20190100559-A1 GAMMA-AAPEPTIDES WITH POTENT AND BROAD-SPECTRUM ANTIMICROBIAL ACTIVITY ANPEP, DNPEP, ENPEP ALDH1A1 2713/4885MAPK1 4334/4885L3MBTL1 1008/4885

“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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