SCHEMBL22608031

SCHEMBL22608031

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 3/20 0.56
▸ ICAM1 P05362 3/20 0.56
▸ ITGAL P20701 3/20 0.56
▸ CA1 P00915 3/20 0.53
▸ CA2 P00918 3/20 0.53
▸ CYP3A4 P08684 1/20 0.51
▸ SLC7A5 Q01650 1/20 0.51
▸ SLC15A2 Q16348 1/20 0.51
▸ CPB2 Q96IY4 1/20 0.48
▸ SLC6A5 Q9Y345 1/20 0.47
▸ HRH4 Q9H3N8 2/20 0.46
▸ HRH3 Q9Y5N1 2/20 0.46
▸ HIF1A Q16665 1/20 0.45
▸ EPHX2 P34913 1/20 0.44
▸ MRGPRX4 Q96LA9 1/20 0.44
▸ AGTR2 P50052 1/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ GGT1 P19440 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
SCHEMBL28327021 0.87 ITGB2 (0.60) ITGB2ICAM1ITGALCA1CA2
SCHEMBL22608036 0.85 ITGB2 (0.56) ITGB2ICAM1ITGALCA1CA2
SCHEMBL22608018 0.82 ITGB2 (0.58) ITGB2ICAM1ITGALCA1CA2
SCHEMBL28386295 0.82 ITGB2 (0.60) ITGB2ICAM1ITGALCA1CA2
SCHEMBL22607987 0.81 ITGB2 (0.58) ITGB2ICAM1ITGALCA1CA2
SCHEMBL30081493 0.80 SLC15A2 (0.72) ITGB2ICAM1ITGALCA1CA2
SCHEMBL2197786 0.80 SLC15A2 (0.72) ITGB2ICAM1ITGALCA1CA2
SCHEMBL5494124 0.80 ITGB2 (0.61) ITGB2ICAM1ITGALCA1CA2
SCHEMBL14952736 0.80 ITGB2 (0.61) ITGB2ICAM1ITGALCA1CA2
SCHEMBL27413426 0.80 ITGB2 (0.67) ITGB2ICAM1ITGALCA1CA2

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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