SCHEMBL2236552

SCHEMBL2236552

CC(C)c1oc(=O)oc1COC(=O)NCCC[C@@H](Cc1ncn2c1CCc1ccccc1-2)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.35
FOLH1 Q04609 3/20 0.34
DPP8 Q6V1X1 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
MAPT P10636 1/20 0.32
SLC1A3 P43003 1/20 0.30
SLC1A1 P43005 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
SCHEMBL2237273 0.92 ACE (0.36) ACEFOLH1DPP8DPP7MAPT
SCHEMBL2381593 0.91 ACE (0.35) ACEFOLH1DPP8DPP7MAPT
SCHEMBL2233508 0.91 ACE (0.35) ACEFOLH1DPP8DPP7MAPT
SCHEMBL2235331 0.90 ACE (0.38) ACEFOLH1DPP8DPP7MAPT
SCHEMBL2238348 0.84 LMNA (0.39) ACE
SCHEMBL2233582 0.82 ACE (0.35) ACEFOLH1DPP8DPP7MAPT
SCHEMBL2233645 0.81 ACE (0.38) ACEMAPT
SCHEMBL2234466 0.81 MEN1 (0.47) ACE
SCHEMBL2236787 0.81 MEN1 (0.47) ACE
SCHEMBL2238532 0.81 MEN1 (0.47) ACE

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-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-01 US disclosed
EP-2361910-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY Taisho Pharmaceutical Co., Ltd. (JP) 2011-08-31 EP 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-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAF1, TAF5, TAF11 ACE 473/4885FOLH1 4483/4885DPP8 613/4885

“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.