SCHEMBL2554859

SCHEMBL2554859

COc1ccc(C2OCCO2)cc1OC(C)C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
FPR2 P25090 2/20 0.45
PTAFR P25105 1/20 0.45
ACHE P22303 1/20 0.41
MAPK3 P27361 1/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 4/20 0.41
EPAS1 Q99814 4/20 0.41
SOAT2 O75908 1/20 0.41
SOAT1 P35610 1/20 0.41
NR3C1 P04150 1/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL18288113 0.87 ALDH1A1 (0.58) ALDH1A1PTAFRACHEMAPK3MAPK1
SCHEMBL18555689 0.80 ALDH1A1 (0.55) ALDH1A1PTAFRACHEMAPK3MAPK1
SCHEMBL12191682 0.77 ALDH1A1 (0.44) ALDH1A1PTAFRACHEMAPK3MAPK1
SCHEMBL5386140 0.76 KDM1A (0.57) ALDH1A1PTAFRACHEMAPK3MAPK1
SCHEMBL1121729 0.76 KMT2A (0.44) ALDH1A1ACHEMAPK3MAPK1
SCHEMBL3690573 0.76 PPARG (0.64) ALDH1A1NR3C1
SCHEMBL15372462 0.76 TUBB4A (0.56) ALDH1A1MAPK1HIF1ATP53
SCHEMBL9778921 0.75 KDM4E (0.49) ALDH1A1FPR2MAPK1TP53
SCHEMBL3571617 0.75 ALDH1A1 (0.47) ALDH1A1PTAFRACHEMAPK3MAPK1
SCHEMBL6234654 0.74 ALDH1A1 (0.48) ALDH1A1NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130150376-A1 Novel Sultam Compounds PFIZER INC. (US) 2013-06-13 US disclosed
US-20130150376-A1 Novel Sultam Compounds PFIZER INC. (US) 2013-06-13 US disclosed
US-20130150376-A1 Novel Sultam Compounds PFIZER INC. (US) 2013-06-13 US disclosed
EP-2556076-A2 NOVEL SULTAM COMPOUNDS Pfizer Inc. (US) 2013-02-13 EP disclosed
WO-2011125006-A2 NOVEL SULTAM COMPOUNDS PFIZER INC. (US) 2011-10-13 WO disclosed
WO-2011125006-A2 NOVEL SULTAM COMPOUNDS PFIZER INC. (US) 2011-10-13 WO disclosed
US-20110224231-A1 Novel Lactams as Beta Secretase Inhibitors PFIZER INC. (US) 2011-09-15 US disclosed
US-20110224231-A1 Novel Lactams as Beta Secretase Inhibitors PFIZER INC. (US) 2011-09-15 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 (2 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-20110224231-A1 Novel Lactams as Beta Secretase Inhibitors BACE1, BACE2, APH1B ALDH1A1 2135/4885FPR2 3915/4885PTAFR 584/4885
US-20130150376-A1 Novel Sultam Compounds SULT2A1, SULT1A1, SULT1E1 ALDH1A1 75/4885FPR2 4079/4885PTAFR 687/4885

“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.