SCHEMBL18878625

SCHEMBL18878625

C/N=C/c1ccc(CNC(=O)[C@@H](N)CCc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.48
MMP8 P22894 1/20 0.48
MASP2 O00187 2/20 0.46
F2 P00734 1/20 0.46
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 3/20 0.41
LNPEP Q9UIQ6 2/20 0.41
ERAP2 Q6P179 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.40
CTSC P53634 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
SCHEMBL20117423 0.86 MMP8 (0.51) SPHK1MMP8MASP2F2ALDH1A1
SCHEMBL14628026 0.81 MMP8 (0.56) SPHK1MMP8MASP2F2ALDH1A1
SCHEMBL13418073 0.80 MMP8 (0.55) SPHK1MMP8MASP2F2ALDH1A1
SCHEMBL21582601 0.79 ALDH1A1 (0.60) SPHK1MMP8ALDH1A1KMT2AMEN1
SCHEMBL12445594 0.78 LNPEP (0.61) SPHK1MMP8MASP2F2ALDH1A1
SCHEMBL17366111 0.77 MMP8 (0.51) SPHK1MMP8MASP2F2ALDH1A1
Hydrochloric Acid SCHEMBL27450409 0.76 F2 (0.67) SPHK1MMP8MASP2F2
SCHEMBL8549002 0.75 SPHK1 (0.57) SPHK1MMP8KMT2A
SCHEMBL23793953 0.74 TPSAB1 (0.55) SPHK1MMP8MASP2F2ALDH1A1
SCHEMBL5018826 0.74 SCN9A (0.57) SPHK1MMP8MASP2F2SMN1; SMN2

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-20170145054-A1 PROCESS FOR THE PRODUCTION OF A DIPEPTIDE DERIVATIVE DSM IP ASSETS B.V. (NL) 2017-05-25 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-20170145054-A1 PROCESS FOR THE PRODUCTION OF A DIPEPTIDE DERIVATIVE VIP, PEPD, DNPEP SPHK1 1545/4885MMP8 3300/4885MASP2 927/4885

“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.