SCHEMBL22199726

SCHEMBL22199726

NCCCC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.45
GSR P00390 1/20 0.44
NOD1 Q9Y239 1/20 0.42
ERAP2 Q6P179 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41
LNPEP Q9UIQ6 1/20 0.41
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
HPGDS O60760 1/20 0.40
SIRT5 Q9NXA8 1/20 0.39
GNPAT O15228 1/20 0.38
TLR2 O60603 1/20 0.37
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
CPB2 Q96IY4 1/20 0.37

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
SCHEMBL30312562 0.90 FOLH1 (0.43) FOLH1GSRNOD1ERAP2ERAP1
SCHEMBL14763091 0.89 GSR (0.42) FOLH1GSRNOD1ERAP2ERAP1
SCHEMBL1900352 0.89 GSR (0.42) FOLH1GSRNOD1ERAP2ERAP1
SCHEMBL29371190 0.89 FOLH1 (0.58) FOLH1GSRERAP2ERAP1LNPEP
SCHEMBL1308766 0.89 FOLH1 (0.58) FOLH1GSRERAP2ERAP1LNPEP
SCHEMBL29617647 0.89 FOLH1 (0.58) FOLH1GSRERAP2ERAP1LNPEP
SCHEMBL1308762 0.89 FOLH1 (0.58) FOLH1GSRERAP2ERAP1LNPEP
SCHEMBL31384809 0.88 GSR (0.49) FOLH1GSRNOD1ERAP2ERAP1
SCHEMBL7570529 0.87 DPP8 (0.51) FOLH1GSRNOD1ERAP2ERAP1
SCHEMBL16421653 0.86 FOLH1 (0.55) FOLH1GSRNOD1ERAP2ERAP1

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
EP-4110809-A1 COMPOSITIONS AND METHODS King's College London (GB) 2023-01-04 EP disclosed
US-11358988-B2 Immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2022-06-14 US disclosed
US-20200216498-A1 IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-07-09 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-11358988-B2 Immunomodulators CD74, ICOS, HAVCR2 FOLH1 550/4885GSR 1001/4885NOD1 447/4885
US-20200216498-A1 IMMUNOMODULATORS CD74, ICOS, HAVCR2 FOLH1 550/4885GSR 1001/4885NOD1 447/4885

“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.