SCHEMBL4161761

SCHEMBL4161761

C[C@H](N)CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 4/20 0.38
▸ PIN1 Q13526 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP7 P09237 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MMP12 P39900 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ CPB2 Q96IY4 3/20 0.33
▸ MME P08473 1/20 0.33
▸ CPB1 P15086 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL3076261 1.00 ACE (0.38) ACEPIN1MMP2MMP7MMP9
SCHEMBL15832825 1.00 ACE (0.38) ACEPIN1MMP2MMP7MMP9
SCHEMBL30572052 0.88 SLC1A3 (0.38) ACE
SCHEMBL21246719 0.88 ACE (0.39) ACEPIN1MMP2MMP7MMP9
SCHEMBL19051537 0.86 ACE (0.38) ACEPIN1MMP2MMP7MMP9
SCHEMBL11133973 0.85 TNF (0.37) ACEPIN1
SCHEMBL17293240 0.84 CTRB1 (0.37) ACEMME
SCHEMBL3916119 0.84 CTRB1 (0.37) ACEMME
SCHEMBL749822 0.84 CTRB1 (0.37) ACEMME
SCHEMBL3810013 0.84 CTRB1 (0.37) ACEMME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2041157-B1 PEPTIDE DERIVATIVES WITH THERAPEUTIC ACTIVITY FLAMMA SPA (IT) 2015-05-06 — — EP claimed
US-20090247601-A1 PEPTIDE DERIVATIVES WITH THERAPEUTIC ACTIVITY FLAMMA S.P.A. (IT) 2009-10-01 — — US claimed
EP-2041157-A1 PEPTIDE DERIVATIVES WITH THERAPEUTIC ACTIVITY Flamma S.P.A. (IT) 2009-04-01 — — EP claimed
WO-2008001174-A1 PEPTIDE DERIVATIVES WITH THERAPEUTIC ACTIVITY FLAMMA, S.P.A. (IT) 2008-01-03 — — WO claimed
EP-2041157-B1 PEPTIDE DERIVATIVES WITH THERAPEUTIC ACTIVITY FLAMMA SPA (IT) 2015-05-06 — — EP disclosed
US-8765798-B2 Peptide derivatives with therapeutic activity FLAMMA S.P.A. (IT) 2014-07-01 — — US disclosed
US-20090247601-A1 PEPTIDE DERIVATIVES WITH THERAPEUTIC ACTIVITY FLAMMA S.P.A. (IT) 2009-10-01 — — US disclosed
EP-2041157-A1 PEPTIDE DERIVATIVES WITH THERAPEUTIC ACTIVITY Flamma S.P.A. (IT) 2009-04-01 — — EP disclosed
WO-2008001174-A1 PEPTIDE DERIVATIVES WITH THERAPEUTIC ACTIVITY FLAMMA, S.P.A. (IT) 2008-01-03 — — WO 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-20090247601-A1 PEPTIDE DERIVATIVES WITH THERAPEUTIC ACTIVITY IAPP, VIP, DNPEP ACE 277/4885PIN1 482/4885MMP2 724/4885

“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.

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