SCHEMBL2236465

SCHEMBL2236465

CC(C)(C)C(Cc1ccc(CN2CCC(O)C2)cc1)NC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
SPHK1 Q9NYA1 2/20 0.41
SPHK2 Q9NRA0 1/20 0.41
SCN4A P35499 2/20 0.40
MME P08473 1/20 0.40
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
LTA4H P09960 4/20 0.39
JAK1 P23458 4/20 0.39

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
SCHEMBL2237326 0.93 ALDH1A1 (0.54) ALDH1A1LTA4H
SCHEMBL2238588 0.93 ALDH1A1 (0.44) ALDH1A1
SCHEMBL1935382 0.90 S1PR1 (0.42) ALDH1A1PDCD1CD274
SCHEMBL2237876 0.85 FUCA1 (0.42) ALDH1A1SPHK1SPHK2
SCHEMBL2234962 0.85 LTA4H (0.42) SCN4APDCD1CD274LTA4H
SCHEMBL2239983 0.85 HDAC1 (0.47) SCN4ALTA4H
SCHEMBL2239911 0.84 LTA4H (0.49) MMECD274LTA4H
SCHEMBL1936094 0.84 SCN4A (0.43) ALDH1A1SCN4ALTA4H
SCHEMBL2240254 0.83 KDM4E (0.45) LTA4H
SCHEMBL2237552 0.81 BCHE (0.46) ALDH1A1LTA4H

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-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 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-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 ALDH1A1 3363/4885SPHK1 867/4885SPHK2 1080/4885

“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.