SCHEMBL19084471

SCHEMBL19084471

CC(C)(C)SSCCC(=O)NCCCCCC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.41
NAAA Q02083 1/20 0.39
EPHX2 P34913 3/20 0.38
SLC6A5 Q9Y345 2/20 0.38
ADRA1A P35348 1/20 0.38
FAAH O00519 3/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PRMT1 Q99873 1/20 0.36
DNM1 Q05193 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL20340740 0.87 CASP2 (0.47) CASP2NAAAEPHX2SLC6A5FAAH
SCHEMBL12248329 0.87 CASP2 (0.40) CASP2NAAAEPHX2SLC6A5ADRA1A
SCHEMBL21892050 0.81 LMNA (0.58) CASP2NAAAEPHX2SLC6A5ADRA1A
SCHEMBL11987678 0.79 CASP2 (0.47) CASP2NAAAEPHX2SLC6A5ADRA1A
SCHEMBL31506418 0.79 CNR1 (0.42) FAAHMEN1KMT2AALDH1A1MAPT
SCHEMBL28343752 0.78 CASP2 (0.61) CASP2NAAAEPHX2SLC6A5FAAH
SCHEMBL22987326 0.76 CNR1 (0.33) FAAHKDM4EMEN1KMT2A
SCHEMBL1940161 0.76 CASP2 (0.54) CASP2NAAAEPHX2SLC6A5FAAH
SCHEMBL10051008 0.76 CASP2 (0.57) CASP2NAAAEPHX2SLC6A5FAAH
SCHEMBL24450766 0.75 TSHR (0.41) CASP2NAAAKDM4EMEN1KMT2A

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-10010562-B2 Dual molecular delivery of oligonucleotides and peptide containing conjugates MERCK SHARP & DOHME CORP. (US) 2018-07-03 US disclosed
US-20170189441-A1 DUAL MOLECULAR DELIVERY OF OLIGONUCLEOTIDES AND PEPTIDE CONTAINING CONJUGATES MERCK SHARP & DOHME CORP. (US) 2017-07-06 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 (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-10010562-B2 Dual molecular delivery of oligonucleotides and peptide containing conjugates DCLRE1A, DCLRE1B, LNPEP CASP2 3603/4885NAAA 4147/4885EPHX2 2055/4885
US-20170189441-A1 DUAL MOLECULAR DELIVERY OF OLIGONUCLEOTIDES AND PEPTIDE CONTAINING CONJUGATES DCLRE1A, DCLRE1B, LNPEP CASP2 3603/4885NAAA 4147/4885EPHX2 2055/4885

“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.