SCHEMBL1153337

SCHEMBL1153337

COc1ccc(C(Cc2ccc(Br)cc2)C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.59
ALDH1A1 P00352 1/20 0.56
POLB P06746 1/20 0.53
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
PPARG P37231 2/20 0.48
PPARA Q07869 2/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
AKR1C3 P42330 3/20 0.47
AKR1C2 P52895 3/20 0.47
PTGS1 P23219 2/20 0.47
AKR1C1 Q04828 1/20 0.47

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
SCHEMBL21959088 0.92 LDHA (0.69) LDHAPPARGPPARACYP1A2CYP2D6
SCHEMBL28067587 0.90 ALDH1A1 (0.57) LDHAALDH1A1POLBMEN1LMNA
SCHEMBL1153537 0.88 ESR1 (0.58) LDHAALDH1A1POLBMEN1LMNA
SCHEMBL5434743 0.87 PTGS1 (0.53) LMNAKMT2APPARGPPARAAKR1C3
SCHEMBL10964998 0.87 ESR1 (0.63) LDHAMAPTRAB9APPARGPPARA
SCHEMBL6643092 0.86 PPARG (0.63) LDHAALDH1A1RAB9AKMT2APPARG
SCHEMBL1716396 0.86 LDHA (0.65) LDHAMEN1KMT2APPARGPPARA
SCHEMBL1154248 0.86 ALDH1A1 (0.53) LDHAALDH1A1POLBMEN1LMNA
SCHEMBL29174149 0.85 LDHA (0.59) LDHAALDH1A1POLBMEN1LMNA
SCHEMBL18039167 0.85 LDHA (0.59) LDHAKMT2APPARGPPARACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257167-B1 2-AMINOIMIDAZOLE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2015-07-22 EP disclosed
US-8492387-B2 2-aminoimidazole beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme, Corp. (US) 2013-07-23 US disclosed
US-20110034483-A1 2-AMINOIMIDAZOLE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Via EFS 2011-02-10 US disclosed
EP-2257167-A1 2-AMINOIMIDAZOLE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Merck Sharp & Dohme Corp. (US) 2010-12-08 EP disclosed
WO-2009108550-A1 2-AMINOIMIDAZOLE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2009-09-03 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-20110034483-A1 2-AMINOIMIDAZOLE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE2, BACE1, APH1B LDHA 3884/4885ALDH1A1 768/4885POLB 782/4885

“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.