SCHEMBL8247171

SCHEMBL8247171

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCAT2 O15382 1/20 0.53
▸ DHODH Q02127 4/20 0.48
▸ SIRT2 Q8IXJ6 1/20 0.47
▸ SLC6A3 Q01959 5/20 0.46
▸ SLC6A4 P31645 3/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ TSHR P16473 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ GLA P06280 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PLA2G2A P14555 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ KDM6B O15054 1/20 0.41
▸ KDM5C P41229 1/20 0.41
▸ KDM4C Q9H3R0 1/20 0.41
▸ KDM2A Q9Y2K7 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
SCHEMBL8249355 0.94 BCAT2 (0.54) BCAT2SIRT2SLC6A3SLC6A4SLC6A2
SCHEMBL27512426 0.83 TSHR (0.47) DHODHTSHRALDH1A1GLAHPGD
Methyl Benzoate SCHEMBL28297617 0.82 BCAT2 (0.69) BCAT2SIRT2SLC6A3SLC6A4SLC6A2
SCHEMBL8249365 0.82 BACE1 (0.56) ALDH1A1HPGDKDM4ENPC1
SCHEMBL27539635 0.80 HPGD (0.50) DHODHSLC6A3TSHRALDH1A1HPGD
SCHEMBL3049378 0.79 DHODH (0.59) DHODHTSHRHPGDEGFR
SCHEMBL8245438 0.77 BACE1 (0.59) ALDH1A1HPGDKDM4ENPC1
SCHEMBL2343635 0.77 TSHR (0.44) TSHRALDH1A1HPGDEGFRKDM4E
SCHEMBL28910860 0.77 DHODH (0.50) BCAT2DHODHTSHRALDH1A1SMN1; SMN2
SCHEMBL2159619 0.75 SLC6A3 (0.60) SLC6A3SLC6A4SLC6A2TSHRALDH1A1

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 489/4885DHODH 1066/4885SIRT2 1196/4885
US-20100144681-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE PSEN1, PSEN2, ADORA3 BCAT2 513/4885DHODH 1087/4885SIRT2 1176/4885

“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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