SCHEMBL8249355

SCHEMBL8249355

COC(=O)c1cc(C(=O)OC)cc(-c2ccccc2C(N)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCAT2 O15382 1/20 0.54
▸ SIRT2 Q8IXJ6 1/20 0.51
▸ SLC6A3 Q01959 5/20 0.50
▸ SLC6A4 P31645 3/20 0.50
▸ SLC6A2 P23975 1/20 0.50
▸ ALDH1A1 P00352 5/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ TSHR P16473 3/20 0.46
▸ HSD17B10 Q99714 3/20 0.45
▸ CFTR P13569 1/20 0.45
▸ PDK2 Q15119 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ CSF1R P07333 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ GSK3A P49840 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ CDK5 Q00535 1/20 0.42

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
SCHEMBL8247171 0.94 BCAT2 (0.53) BCAT2SIRT2SLC6A3SLC6A4SLC6A2
Methyl Benzoate SCHEMBL28297617 0.84 BCAT2 (0.69) BCAT2SIRT2SLC6A3SLC6A4SLC6A2
SCHEMBL8249365 0.84 BACE1 (0.56) ALDH1A1HSD17B10LMNAROCK2HPGD
SCHEMBL30571537 0.80 SLC6A3 (0.56) SLC6A3SLC6A4SLC6A2ALDH1A1L3MBTL1
SCHEMBL26115481 0.80 SLC6A3 (0.56) SLC6A3SLC6A4SLC6A2ALDH1A1L3MBTL1
SCHEMBL25148542 0.80 ALDH1A1 (0.58) BCAT2SIRT2SLC6A3SLC6A4SLC6A2
SCHEMBL27926363 0.79 BCAT2 (0.76) BCAT2ALDH1A1TSHRHSD17B10HPGD
SCHEMBL2409870 0.78 TSHR (0.49) SLC6A3SLC6A4ALDH1A1L3MBTL1TSHR
SCHEMBL3508583 0.78 POLB (0.55) SLC6A3L3MBTL1TSHRHPGDMAPT
SCHEMBL28187515 0.78 BCAT2 (0.58) BCAT2SLC6A3SLC6A4SLC6A2PDK2

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-20100168070-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE HEINE NIKLAS 2010-07-01 — — US disclosed
US-20100168070-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE HEINE NIKLAS 2010-07-01 — — US disclosed
US-20100144681-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATION GMNB (DE) 2010-06-10 — — US disclosed
US-20100144681-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATION GMNB (DE) 2010-06-10 — — US disclosed
WO-2007017510-A2 ISOPHTHALIC ACID DIAMIDES FOR TREATING ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-15 — — WO disclosed
WO-2007017511-A2 COMPOUNDS FOR TREATING ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-15 — — 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 (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-20100168070-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE PSEN1, PSEN2, ADORA3 BCAT2 489/4885SIRT2 1196/4885SLC6A3 151/4885
US-20100144681-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE PSEN1, PSEN2, ADORA3 BCAT2 513/4885SIRT2 1176/4885SLC6A3 153/4885

“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.

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