SCHEMBL19981422

SCHEMBL19981422

CSC(=O)NCCCCC(N)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.49
NOS1 P29475 4/20 0.49
NOS2 P35228 4/20 0.49
CYP2C19 P33261 1/20 0.49
THPO P40225 1/20 0.49
GSR P00390 1/20 0.48
OTC P00480 1/20 0.47
DPP7 Q9UHL4 1/20 0.45
ARG2 P78540 4/20 0.44
ARG1 P05089 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
GNAI3 P08754 1/20 0.43
GNAO1 P09471 1/20 0.43
GNAI1 P63096 1/20 0.43
BLM P54132 1/20 0.42

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
SCHEMBL19803890 0.83 NOS1 (0.51) NOS3NOS1NOS2GSROTC
SCHEMBL7785352 0.83 NOS3 (0.47) NOS3NOS1NOS2CYP2C19THPO
SCHEMBL7984675 0.83 NOS3 (0.47) NOS3NOS1NOS2CYP2C19THPO
SCHEMBL919222 0.80 KDM4E (0.56) NOS3NOS1NOS2CYP2C19GSR
SCHEMBL180969 0.80 KDM4E (0.56) NOS3NOS1NOS2CYP2C19GSR
SCHEMBL236178 0.80 KDM4E (0.56) NOS3NOS1NOS2CYP2C19GSR
SCHEMBL20643482 0.80 GSR (0.57) NOS3NOS1NOS2CYP2C19GSR
SCHEMBL9875639 0.80 GSR (0.57) NOS3NOS1NOS2CYP2C19GSR
SCHEMBL357483 0.80 GSR (0.57) NOS3NOS1NOS2CYP2C19GSR
SCHEMBL826656 0.79 GSR (0.52) NOS3NOS1NOS2CYP2C19GSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200207822-A1 PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR AND THEIR USE TO TREAT INFLAMMATORY DISEASES PROTAGONIST THERAPEUTICS, INC. 2020-07-02 US disclosed
US-10035824-B2 Oral peptide inhibitors of interleukin-23 receptor and their use to treat inflammatory bowel diseases PROTAGONIST THERAPEUTICS, INC. (US) 2018-07-31 US disclosed
US-20180079782-A1 ORAL PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR AND THEIR USE TO TREAT INFLAMMATORY BOWEL DISEASES PROTAGONIST THERAPEUTICS, INC. 2018-03-22 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 (3 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-20180079782-A1 ORAL PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR AND THEIR USE TO TREAT INFLAMMATORY BOWEL DISEASES IL23R, IL1RN, VIP NOS3 579/4885NOS1 1788/4885NOS2 1986/4885
US-10035824-B2 Oral peptide inhibitors of interleukin-23 receptor and their use to treat inflammatory bowel diseases IL23R, IL1RN, VIP NOS3 459/4885NOS1 1769/4885NOS2 1784/4885
US-20200207822-A1 PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR AND THEIR USE TO TREAT INFLAMMATORY DISEASES IL23R, IL1RN, VIP NOS3 904/4885NOS1 2369/4885NOS2 2488/4885

“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.