SCHEMBL2237876

SCHEMBL2237876

CC(C)(C)C(Cc1ccc(CN2CC(O)C(O)C2)cc1)NC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.42
S1PR1 P21453 8/20 0.42
S1PR5 Q9H228 7/20 0.42
GBA1 P04062 2/20 0.41
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
S1PR3 Q99500 3/20 0.37
S1PR4 O95977 3/20 0.37
SPHK2 Q9NRA0 2/20 0.37
SPHK1 Q9NYA1 2/20 0.37
ACACB O00763 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
SCHEMBL1935382 0.92 S1PR1 (0.42) FUCA1S1PR1S1PR5GBA1ALDH1A1
SCHEMBL2237424 0.86 S1PR5 (0.40) S1PR1S1PR5KDM4E
SCHEMBL2236465 0.85 ALDH1A1 (0.44) ALDH1A1SPHK2SPHK1
SCHEMBL2238588 0.85 ALDH1A1 (0.44) ALDH1A1KDM4E
SCHEMBL2237326 0.83 ALDH1A1 (0.54) ALDH1A1
SCHEMBL2239983 0.80 HDAC1 (0.47) KDM4E
SCHEMBL2234962 0.80 LTA4H (0.42) KDM4E
SCHEMBL2240254 0.80 KDM4E (0.45) KDM4E
SCHEMBL2239911 0.79 LTA4H (0.49)
SCHEMBL2237552 0.79 BCHE (0.46) ALDH1A1KDM4E

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 FUCA1 2616/4885S1PR1 381/4885S1PR5 640/4885

“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.