SCHEMBL30167978

SCHEMBL30167978

COc1ccc(C(N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.46
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
ATM Q13315 1/20 0.45
CTSL P07711 3/20 0.44
FPR2 P25090 1/20 0.43
MMP1 P03956 6/20 0.43
MMP3 P08254 4/20 0.43
MMP9 P14780 2/20 0.42
GNPAT O15228 1/20 0.41
KIF11 P52732 1/20 0.41
KCNH2 Q12809 1/20 0.41
ERAP2 Q6P179 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41
LNPEP Q9UIQ6 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL30167975 0.97 PTPN1 (0.45) PTPN1OPRM1OPRD1ATMCTSL
SCHEMBL30100119 0.90 FPR2 (0.50) FPR2MMP3GNPATKMT2A
SCHEMBL30990575 0.85 CCKBR (0.49) PTPN1
SCHEMBL30167976 0.85 MMP1 (0.48) PTPN1OPRM1OPRD1ATMFPR2
SCHEMBL7603846 0.79 KIF11 (0.50) FPR2MMP9KIF11KCNH2
SCHEMBL17274480 0.79 KIF11 (0.50) FPR2MMP9KIF11KCNH2
SCHEMBL29965298 0.79 OPRD1 (0.49) PTPN1OPRM1OPRD1
SCHEMBL20072307 0.78 GNPAT (0.52) CTSLMMP1GNPAT
SCHEMBL29964895 0.77 MMP3 (0.44) MMP1MMP3MMP9ERAP2ERAP1
SCHEMBL20964465 0.77 PRSS1 (0.54) PTPN1CTSL

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-11548913-B2 Therapeutic compositions including peptides and uses thereof STEALTH BIOTHERAPEUTICS INC. (US) 2023-01-10 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-11548913-B2 Therapeutic compositions including peptides and uses thereof VIP, IAPP, TNNI3 PTPN1 1541/4885OPRM1 2534/4885OPRD1 3399/4885

“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.