SCHEMBL803515

SCHEMBL803515

COC(=O)c1ccc2c(c1)C(NC(=O)OC(C)(C)C)CCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 2/20 0.43
GAA P10253 1/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
CTSD P07339 3/20 0.37
BACE1 P56817 3/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2C9 P11712 1/20 0.37
RARA P10276 1/20 0.37
RARB P10826 1/20 0.37
RARG P13631 1/20 0.37
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL25597335 0.91 MAPT (0.39) KDM4DGAATSHRALDH1A1LMNA
SCHEMBL803760 0.90 GAA (0.39) GAAALDH1A1MAPK1CTSDBACE1
SCHEMBL25824938 0.85 GAA (0.40) KDM4DGAACTSDBACE1NFKB1
SCHEMBL12731042 0.84 CTSD (0.45) GAACTSDBACE1L3MBTL1TRPV1
SCHEMBL8122445 0.84 TRPV1 (0.48) KDM4DCTSDBACE1TRPV1
SCHEMBL12709612 0.84 TRPV1 (0.45) GAAALDH1A1CTSDBACE1MAPT
SCHEMBL4146006 0.84 AAK1 (0.41) GAACTSDBACE1SMN1; SMN2TRPV1
SCHEMBL8279283 0.84 GAA (0.40) GAACTSDBACE1NFKB1NFKB2
SCHEMBL8276392 0.84 GAA (0.40) GAACTSDBACE1NFKB1NFKB2
SCHEMBL4135566 0.82 KDM4E (0.40) GAAALDH1A1CTSDBACE1KDM4E

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
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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 (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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 KDM4D 1153/4885GAA 3227/4885TSHR 586/4885

“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.