SCHEMBL8430281

SCHEMBL8430281

COC(=O)[C@@H](N)Cc1cc(Cl)cc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
SLC7A5 Q01650 3/20 0.43
CASR P41180 1/20 0.42
PTGS2 P35354 1/20 0.40
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
IDO1 P14902 1/20 0.37
LTA4H P09960 1/20 0.36

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
SCHEMBL4596339 0.84 PNMT (0.58) ALDH1A1SLC7A5IDO1LTA4H
SCHEMBL8703262 0.84 PNMT (0.58) ALDH1A1SLC7A5IDO1LTA4H
SCHEMBL32677002 0.84 PNMT (0.58) ALDH1A1SLC7A5IDO1LTA4H
SCHEMBL5222169 0.84 PNMT (0.58) ALDH1A1SLC7A5IDO1LTA4H
Hydrochloric Acid SCHEMBL27464747 0.83 PNMT (0.57) ALDH1A1SLC7A5IDO1LTA4H
SCHEMBL28741488 0.83 ALDH1A1 (0.42) ALDH1A1SLC7A5CASRPTGS2
Hydrochloric Acid SCHEMBL27478281 0.83 PNMT (0.57) ALDH1A1SLC7A5IDO1LTA4H
Hydrochloric Acid SCHEMBL27476980 0.83 PNMT (0.57) ALDH1A1SLC7A5IDO1LTA4H
SCHEMBL1473553 0.83 SLC6A2 (0.52) ALDH1A1PTGS2
SCHEMBL2734777 0.83 SLC6A2 (0.52) ALDH1A1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 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 (1 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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof ACE, ACE2, AGTR2 ALDH1A1 1305/4885SLC7A5 3222/4885CASR 1743/4885

“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.