SCHEMBL21581969

SCHEMBL21581969

COC(=O)C(Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cc(Cl)ccc1Cl

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 8/20 0.66
▸ ITGB1 P05556 1/20 0.53
▸ ITGA4 P13612 1/20 0.53
▸ NOS2 P35228 4/20 0.51
▸ NOS3 P29474 2/20 0.51
▸ NOS1 P29475 2/20 0.51
▸ MCL1 Q07820 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ PYGL P06737 1/20 0.48
▸ CDK2 P24941 2/20 0.45
▸ PSMB11 A5LHX3 2/20 0.45
▸ PSMA7 O14818 2/20 0.45
▸ PSMB1 P20618 2/20 0.45
▸ PSMA1 P25786 2/20 0.45
▸ PSMA2 P25787 2/20 0.45
▸ PSMA3 P25788 2/20 0.45
▸ PSMA4 P25789 2/20 0.45
▸ PSMB8 P28062 2/20 0.45
▸ PSMB9 P28065 2/20 0.45

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
SCHEMBL21583765 1.00 PSMB5 (0.66) PSMB5ITGB1ITGA4NOS2NOS3
SCHEMBL23201868 0.91 PSMB5 (0.66) PSMB5ITGB1ITGA4NOS2NOS3
SCHEMBL23201866 0.91 PSMB5 (0.66) PSMB5ITGB1ITGA4NOS2NOS3
SCHEMBL21581968 0.88 ITGB1 (0.67) PSMB5ITGB1ITGA4MCL1LMNA
SCHEMBL21581967 0.88 ITGB1 (0.67) PSMB5ITGB1ITGA4MCL1LMNA
SCHEMBL3995599 0.87 PSMB5 (0.51) PSMB5NOS2NOS3NOS1MCL1
SCHEMBL21583785 0.85 PSMB5 (0.50) PSMB5ITGB1ITGA4MCL1LMNA
SCHEMBL4833914 0.82 CDK2 (0.50) PSMB5NOS2NOS3NOS1CDK2
SCHEMBL4831953 0.82 CDK2 (0.50) PSMB5NOS2NOS3NOS1CDK2
SCHEMBL29359826 0.80 PYGL (0.77) PYGL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 PSMB5 38/4885ITGB1 4133/4885ITGA4 4362/4885
US-11542283-B2 Synthesis of peptide borate ester compound and use thereof SEM1, VIP, PSMB11 PSMB5 38/4885ITGB1 4133/4885ITGA4 4362/4885

“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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