SCHEMBL22608013

SCHEMBL22608013

CC(C)(N)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 3/20 0.56
▸ ICAM1 P05362 3/20 0.56
▸ ITGAL P20701 3/20 0.56
▸ SLC6A5 Q9Y345 1/20 0.55
▸ SLC15A2 Q16348 1/20 0.54
▸ CA1 P00915 3/20 0.53
▸ CA2 P00918 3/20 0.53
▸ CYP3A4 P08684 2/20 0.51
▸ SLC7A5 Q01650 1/20 0.51
▸ EPHX2 P34913 1/20 0.48
▸ CPB2 Q96IY4 1/20 0.48
▸ AGTR2 P50052 1/20 0.46
▸ MCL1 Q07820 1/20 0.45
▸ PRSS1 P07477 1/20 0.44
▸ PRSS2 P07478 1/20 0.44
▸ PRSS3 P35030 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HIF1A Q16665 1/20 0.43

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
SCHEMBL22608018 0.85 ITGB2 (0.58) ITGB2ICAM1ITGALSLC6A5SLC15A2
SCHEMBL4182511 0.83 SLC6A5 (0.64) ITGB2ICAM1ITGALSLC6A5SLC15A2
SCHEMBL2197786 0.83 SLC15A2 (0.72) ITGB2ICAM1ITGALSLC6A5SLC15A2
SCHEMBL30081493 0.83 SLC15A2 (0.72) ITGB2ICAM1ITGALSLC6A5SLC15A2
SCHEMBL29316726 0.82 ITGB2 (0.56) ITGB2ICAM1ITGALSLC6A5SLC15A2
SCHEMBL28386295 0.82 ITGB2 (0.60) ITGB2ICAM1ITGALSLC6A5SLC15A2
SCHEMBL16673210 0.81 ITGB2 (0.57) ITGB2ICAM1ITGALSLC6A5SLC15A2
SCHEMBL10937311 0.81 ITGB2 (0.57) ITGB2ICAM1ITGALSLC6A5SLC15A2
SCHEMBL23408811 0.81 ITGB2 (0.59) ITGB2ICAM1ITGALSLC6A5SLC15A2
Carnosine SCHEMBL22392772 0.81 SLC15A2 (0.63) ITGB2ICAM1ITGALSLC6A5SLC15A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200361875-A1 PEPTIDE DERIVATIVES AND THERAPEUTIC ACTIVITY THEREOF FLAMMA S.P.A. (IT) 2020-11-19 — — US claimed
EP-3732165-A1 PEPTIDE DERIVATIVES AND THERAPEUTIC ACTIVITY THEREOF Flamma S.P.A. (IT) 2020-11-04 — — EP claimed
US-11420943-B2 Peptide derivatives and therapeutic activity thereof FLAMMA S.P.A. (IT) 2022-08-23 — — US disclosed
EP-3732165-B1 PEPTIDE DERIVATIVES AND THERAPEUTIC ACTIVITY THEREOF FLAMMA SPA (IT) 2022-08-17 — — EP disclosed
US-20200361875-A1 PEPTIDE DERIVATIVES AND THERAPEUTIC ACTIVITY THEREOF FLAMMA S.P.A. (IT) 2020-11-19 — — US disclosed
EP-3732165-A1 PEPTIDE DERIVATIVES AND THERAPEUTIC ACTIVITY THEREOF Flamma S.P.A. (IT) 2020-11-04 — — EP 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-20200361875-A1 PEPTIDE DERIVATIVES AND THERAPEUTIC ACTIVITY THEREOF GPX4, VIP, GPX1 ITGB2 2785/4885ICAM1 973/4885ITGAL 2302/4885
US-11420943-B2 Peptide derivatives and therapeutic activity thereof GPX4, VIP, GPX1 ITGB2 2785/4885ICAM1 973/4885ITGAL 2302/4885

“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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