SCHEMBL2525104

SCHEMBL2525104

CN(Cc1ccc(Br)c(Cl)c1)C(=O)CCNC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
IDO1 P14902 2/20 0.39
ALDH1A1 P00352 3/20 0.38
HTT P42858 2/20 0.38
RAB9A P51151 1/20 0.38
DRD2 P14416 1/20 0.37
AKT1 P31749 1/20 0.37
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HIF1A Q16665 1/20 0.36
LMNA P02545 1/20 0.36
STK17B O94768 1/20 0.36
STK17A Q9UEE5 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
SCHEMBL2520435 0.94 CA1 (0.44) CTSLCTSBCTSSCA1CA2
SCHEMBL12232503 0.89 CTSL (0.41) CTSLCTSBCTSSIDO1ALDH1A1
SCHEMBL12279014 0.87 CTSL (0.40) CTSLCTSBCTSSCA1CA2
SCHEMBL2517093 0.84 RAB9A (0.43) ALDH1A1HTTRAB9AGAAHPGD
SCHEMBL17661301 0.81 CA2 (0.49) CA1CA2IDO1ALDH1A1HTT
SCHEMBL12232511 0.81 CA1 (0.44) CTSLCTSBCTSSCA1CA2
SCHEMBL2523277 0.80 AAK1 (0.39) CTSLCTSBCTSSCA1CA2
SCHEMBL15424209 0.80 HTR2C (0.42) ALDH1A1HTTRAB9AHPGDLMNA
SCHEMBL508353 0.79 TSHR (0.56) CA1CA2IDO1GAASMN1; SMN2
SCHEMBL2518135 0.77 RAB9A (0.41) ALDH1A1HTTRAB9AHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110251173-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2011-10-13 US disclosed
US-20110251173-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2011-10-13 US disclosed
US-20110251173-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2011-10-13 US disclosed
WO-2011121350-A1 4 -AMINO -7,8- DIHYDROPYRIMIDO [5, 4 - F] [1, 4] OXAZEPIN- 5 ( 6H) - ONE BASED DGAT1 INHIBITORS ASTRAZENECA AB (SE) 2011-10-06 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-20110251173-A1 CHEMICAL COMPOUNDS DGAT1, DGAT2, SLC5A1 CTSL 2301/4885CTSB 1989/4885CTSS 1914/4885

“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.