SCHEMBL4044701

SCHEMBL4044701

CC(CCC(=O)O)CCC(=O)N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 3/20 0.48
GLA P06280 2/20 0.47
POLB P06746 2/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 1/20 0.43
USP2 O75604 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL12947921 0.85 TSHR (0.53) FKBP1AGLAPOLBLMNATSHR
SCHEMBL21852158 0.83 ALDH1A1 (0.54) FKBP1AGLAPOLBLMNATSHR
SCHEMBL105393 0.82 TSHR (0.53) FKBP1AGLAPOLBLMNATSHR
SCHEMBL8485558 0.81 LMNA (0.51) FKBP1AGLAPOLBLMNATSHR
SCHEMBL8485553 0.81 LMNA (0.51) FKBP1AGLAPOLBLMNATSHR
SCHEMBL4297789 0.80 POLB (0.58) FKBP1AGLAPOLBLMNATSHR
SCHEMBL24916553 0.79 CYP3A4 (0.45) FKBP1AGLAPOLBLMNATSHR
SCHEMBL7275939 0.78 TSHR (0.53) GLAPOLBLMNATSHRALDH1A1
SCHEMBL2947983 0.77 GLA (0.64) FKBP1AGLAPOLBLMNATSHR
SCHEMBL2952110 0.77 GLA (0.59) FKBP1AGLAPOLBLMNATSHR

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
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS FKBP1A 1519/4885GLA 320/4885POLB 3780/4885

“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.