SCHEMBL21581967

SCHEMBL21581967

O=C(N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)O)c1cc(Cl)ccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 2/20 0.67
▸ ITGA4 P13612 2/20 0.67
▸ PSMB5 P28074 5/20 0.66
▸ ITGB2 P05107 1/20 0.53
▸ ICAM1 P05362 1/20 0.53
▸ ITGAL P20701 1/20 0.53
▸ LMNA P02545 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ NHERF1 O14745 1/20 0.51
▸ FPR2 P25090 1/20 0.50
▸ MRGPRX4 Q96LA9 1/20 0.50
▸ CA2 P00918 1/20 0.48
▸ PPARG P37231 1/20 0.48
▸ PPARA Q07869 1/20 0.48
▸ KIFC1 Q9BW19 1/20 0.48
▸ MCL1 Q07820 4/20 0.47
▸ PSMB11 A5LHX3 1/20 0.46
▸ PSMA7 O14818 1/20 0.46
▸ PSMB1 P20618 1/20 0.46
▸ PSMA1 P25786 1/20 0.46

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
SCHEMBL21581968 1.00 ITGB1 (0.67) ITGB1ITGA4PSMB5ITGB2ICAM1
SCHEMBL23201830 0.91 PSMB5 (0.66) ITGB1ITGA4PSMB5ITGB2ICAM1
SCHEMBL23201831 0.91 PSMB5 (0.66) ITGB1ITGA4PSMB5ITGB2ICAM1
SCHEMBL5927201 0.90 ITGB1 (0.66) ITGB1ITGA4PSMB5FPR2MRGPRX4
SCHEMBL8337586 0.88 ITGB1 (0.66) ITGB1ITGA4PSMB5FPR2MRGPRX4
SCHEMBL21583765 0.88 PSMB5 (0.66) ITGB1ITGA4PSMB5LMNAHPGD
SCHEMBL21581969 0.88 PSMB5 (0.66) ITGB1ITGA4PSMB5LMNAHPGD
SCHEMBL21583747 0.84 ITGB1 (0.57) ITGB1ITGA4PSMB5ITGB2ICAM1
SCHEMBL23221680 0.84 ITGB1 (0.57) ITGB1ITGA4PSMB5ITGB2ICAM1
SCHEMBL16452951 0.84 CA2 (0.66) ITGB1ITGA4FPR2MRGPRX4CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3805237-B1 SYNTHESIS AND USES OF PEPTIDE BORATE ESTER COMPOUND JIANGSU CHUANGTE PHARMACEUTICAL TECH CO LTD (CN) 2026-01-28 — — EP disclosed
CN-115785137-A Synthesis and application of peptide borate compound 江苏正大丰海制药有限公司 2023-03-14 — — CN disclosed
US-11542283-B2 Synthesis of peptide borate ester compound and use thereof JIANGSU CHIA TAI FENGHAI PHARMACEUTICAL CO., LTD. (CN) 2023-01-03 — — US disclosed
CN-112384519-B Synthesis and application of peptide borate compound 江苏正大丰海制药有限公司 2022-11-25 — — CN disclosed
US-20210214377-A1 SYNTHESIS OF PEPTIDE BORATE ESTER COMPOUND AND USE THEREOF JIANGSU CHIA TAI FENGHAI PHARMACEUTICAL CO., LTD. (CN) 2021-07-15 — — US disclosed
EP-3805237-A1 SYNTHESIS AND USES OF PEPTIDE BORATE ESTER COMPOUND Jiangsu Chia Tai Fenghai Pharmaceutical Co., Ltd. (CN) 2021-04-14 — — EP disclosed
EP-3805237-A1 SYNTHESIS AND USES OF PEPTIDE BORATE ESTER COMPOUND Jiangsu Chia Tai Fenghai Pharmaceutical Co., Ltd. (CN) 2021-04-14 — — EP disclosed
CN-112384519-A Synthesis and application of peptide borate compound 江苏正大丰海制药有限公司 2021-02-19 — — CN disclosed
CN-110540547-A Synthesis and application of peptide borate compound QIN YANRU 2019-12-06 — — CN disclosed
WO-2019228299-A1 SYNTHESIS AND USES OF PEPTIDE BORATE ESTER COMPOUND 江苏正大丰海制药有限公司 (CN) 2019-12-05 — — WO disclosed
WO-2019228299-A1 SYNTHESIS AND USES OF PEPTIDE BORATE ESTER COMPOUND 江苏正大丰海制药有限公司 (CN) 2019-12-05 — — 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 (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-20210214377-A1 SYNTHESIS OF PEPTIDE BORATE ESTER COMPOUND AND USE THEREOF SEM1, VIP, PSMB11 ITGB1 4133/4885ITGA4 4362/4885PSMB5 38/4885
US-11542283-B2 Synthesis of peptide borate ester compound and use thereof SEM1, VIP, PSMB11 ITGB1 4133/4885ITGA4 4362/4885PSMB5 38/4885

“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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