SCHEMBL18100018

SCHEMBL18100018

C=CCOC(=O)N[C@@H](CCCCC)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 6/20 0.50
TSHR P16473 1/20 0.46
NOD1 Q9Y239 7/20 0.46
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
SLC6A5 Q9Y345 1/20 0.43
CASP1 P29466 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL1273161 0.95 TGM2 (0.48) TGM2TSHRNOD1SIRT2SIRT1
SCHEMBL30849132 0.85 FOLH1 (0.50) TGM2SLC6A5CASP1
SCHEMBL287193 0.85 FOLH1 (0.50) TGM2SLC6A5CASP1
SCHEMBL287192 0.85 FOLH1 (0.50) TGM2SLC6A5CASP1
SCHEMBL1273690 0.84 TGM2 (0.47) TGM2NOD1SIRT2SIRT1SLC6A5
SCHEMBL23705400 0.84 TGM2 (0.52) TGM2SIRT2SIRT1CASP1
SCHEMBL23705401 0.84 TGM2 (0.52) TGM2SIRT2SIRT1CASP1
SCHEMBL11001505 0.84 CASP1 (0.45) TGM2CASP1
SCHEMBL21315776 0.84 FOLH1 (0.44) TGM2SLC6A5CASP1
SCHEMBL7605714 0.84 FOLH1 (0.44) TGM2SLC6A5CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160279261-A1 PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH, INC. (US) 2016-09-29 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-20160279261-A1 PEPTIDOMIMETIC COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF DNPEP, LNPEP, BCR TGM2 220/4885TSHR 2040/4885NOD1 1577/4885

“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.