SCHEMBL18760199

SCHEMBL18760199

C=CCOC(=O)NC[C@H](CN)Cc1cccc(/C=C/COC(=O)NC[C@@H](CN)Cc2ccccc2C)c1C

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
CASP1 P29466 7/20 0.32
PTGER1 P34995 1/20 0.31
PTGER4 P35408 1/20 0.31
PTGER3 P43115 1/20 0.31
PTGER2 P43116 1/20 0.31
MAPT P10636 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL17108610 0.88 CASP1 (0.38) ALDH1A1CASP1MAPTKDM4ELMNA
SCHEMBL20146220 0.88 CASP1 (0.38) ALDH1A1CASP1MAPTKDM4ELMNA
SCHEMBL17108608 0.88 CASP1 (0.38) ALDH1A1CASP1MAPTKDM4ELMNA
SCHEMBL17108619 0.76 SYK (0.40) ALDH1A1CASP1MAPTMEN1LMNA
SCHEMBL18748453 0.73 CASP1 (0.48) ALDH1A1CASP1MAPT
SCHEMBL17108605 0.71 CTSA (0.44) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL17101248 0.70 HPGD (0.45) ALDH1A1MAPTKDM4EMEN1LMNA
SCHEMBL17108598 0.70 SYK (0.42) ALDH1A1MEN1LMNAMAPK1KMT2A
SCHEMBL20146223 0.66 ERN1 (0.47) ALDH1A1CASP1MAPTMEN1KMT2A
SCHEMBL17101442 0.63 HPGD (0.50) ALDH1A1MAPTKDM4EMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873678-B2 Chemical compounds ASTRAZENECA AB (SE) 2018-01-23 US disclosed
US-20170107195-A1 Chemical Compounds ASTRAZENECA AB (SE) 2017-04-20 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-20170107195-A1 Chemical Compounds CFTR, SCNN1B, SCNN1A ALDH1A1 933/4885CASP1 3276/4885PTGER1 372/4885

“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.