SCHEMBL3669682

SCHEMBL3669682

c1ccc(COc2ccc(-c3nc4c(o3)CCN(Cc3ccccc3)C4)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 11/20 0.72
S1PR1 P21453 5/20 0.62
S1PR3 Q99500 3/20 0.62
REV1 Q9UBZ9 1/20 0.51
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TSHR P16473 1/20 0.47
ABCB1 P08183 2/20 0.47
NPC1 O15118 2/20 0.46
TP53 P04637 2/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
FFAR1 O14842 1/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL15164300 0.88 S1PR5 (0.79) S1PR5S1PR1S1PR3KDM4EALDH1A1
SCHEMBL322153 0.86 S1PR5 (0.68) S1PR5S1PR1S1PR3KDM4EALDH1A1
SCHEMBL17984872 0.79 S1PR5 (0.49) S1PR5S1PR1S1PR3NPC1TP53
SCHEMBL15166548 0.78 S1PR5 (0.64) S1PR5S1PR1S1PR3
SCHEMBL15909566 0.77 S1PR5 (1.00) S1PR5S1PR1S1PR3KDM4EALDH1A1
SCHEMBL321888 0.77 S1PR5 (0.55) S1PR5S1PR1S1PR3KDM4EALDH1A1
SCHEMBL15909397 0.74 S1PR5 (1.00) S1PR5S1PR1S1PR3FFAR1
SCHEMBL15909453 0.74 S1PR5 (1.00) S1PR5S1PR1S1PR3
SCHEMBL29896076 0.74 S1PR5 (0.59) S1PR5S1PR1S1PR3KDM4EALDH1A1
SCHEMBL20214402 0.72 REV1 (0.54) S1PR5REV1KDM4EALDH1A1ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292188-A1 Compounds Comprising A Cyclobutoxy Group UCB PHARMA S.A. (BE) 2010-11-18 US disclosed
US-20100292188-A1 Compounds Comprising A Cyclobutoxy Group UCB PHARMA S.A. (BE) 2010-11-18 US disclosed
US-20100292188-A1 Compounds Comprising A Cyclobutoxy Group UCB PHARMA S.A. (BE) 2010-11-18 US disclosed
EP-2238144-A1 COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP UCB Pharma, S.A. (BE) 2010-10-13 EP disclosed
WO-2009092764-A1 COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP UCB PHARMA, S.A. (BE) 2009-07-30 WO disclosed
WO-2009092764-A1 COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP UCB PHARMA, S.A. (BE) 2009-07-30 WO 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-20100292188-A1 Compounds Comprising A Cyclobutoxy Group CYP11B2, CYP11B1, CYP4B1 S1PR5 1217/4885S1PR1 1651/4885S1PR3 1037/4885

“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.