SCHEMBL30051322

SCHEMBL30051322

CC(C)C[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 6/20 0.64
MMP2 P08253 8/20 0.62
MMP8 P22894 6/20 0.62
MMP1 P03956 6/20 0.62
MMP9 P14780 5/20 0.62
ERAP2 Q6P179 1/20 0.58
ACE P12821 1/20 0.57
OPRM1 P35372 1/20 0.56
OPRD1 P41143 1/20 0.56
NMBR P28336 1/20 0.56
ADAM10 O14672 1/20 0.55
ADAM12 O43184 1/20 0.55
ADAMTS4 O75173 1/20 0.55
MMP3 P08254 1/20 0.55
MMP7 P09237 1/20 0.55
MMP12 P39900 1/20 0.55
MMP13 P45452 1/20 0.55
MMP14 P50281 1/20 0.55
MMP15 P51511 1/20 0.55
MMP16 P51512 1/20 0.55

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
SCHEMBL29872607 0.94 OPRM1 (0.62) ECE1MMP2MMP8MMP1MMP9
SCHEMBL29794167 0.94 OPRM1 (0.62) ECE1MMP2MMP8MMP1MMP9
SCHEMBL29519902 0.92 MMP2 (0.61) ECE1MMP2MMP8MMP1MMP9
SCHEMBL22366982 0.92 ERAP2 (0.67) ECE1MMP2MMP8MMP1MMP9
SCHEMBL30464864 0.92 ECE1 (0.61) ECE1MMP2MMP8MMP1MMP9
SCHEMBL30052459 0.92 ECE1 (0.61) ECE1MMP2MMP8MMP1MMP9
SCHEMBL30974456 0.91 MMP2 (0.57) ECE1MMP2MMP8MMP1MMP9
SCHEMBL30052868 0.91 KDM4E (0.60) ECE1MMP2MMP8MMP1MMP9
SCHEMBL29380319 0.90 ERAP2 (0.64) ECE1MMP2MMP8MMP1MMP9
SCHEMBL30736274 0.90 MMP2 (0.72) ECE1MMP2MMP8MMP1MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12622975-B2 Peptide-conjugated prodrugs BRANDEIS UNIVERSITY (US) 2026-05-12 US disclosed
US-20220387610-A1 PEPTIDE-CONJUGATED PRODRUGS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-12-08 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-12622975-B2 Peptide-conjugated prodrugs PEPD, PAM, VIP ECE1 1629/4885MMP2 1771/4885MMP8 1928/4885
US-20220387610-A1 PEPTIDE-CONJUGATED PRODRUGS VIP, DNPEP, PEPD ECE1 997/4885MMP2 278/4885MMP8 139/4885

“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.