SCHEMBL21583747

SCHEMBL21583747

O=C(N[C@@H](Cc1cc(C(F)(F)F)ccc1C(F)(F)F)C(=O)O)c1cc(Cl)ccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 2/20 0.57
▸ ITGA4 P13612 2/20 0.57
▸ ITGB2 P05107 2/20 0.54
▸ ICAM1 P05362 2/20 0.54
▸ ITGAL P20701 2/20 0.54
▸ PSMB5 P28074 4/20 0.50
▸ LMNA P02545 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ TMPRSS4 Q9NRS4 1/20 0.46
▸ ANO1 Q5XXA6 1/20 0.44
▸ MCL1 Q07820 5/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ MRGPRX4 Q96LA9 1/20 0.41
▸ FLT1 P17948 1/20 0.41
▸ FLT4 P35916 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ TYK2 P29597 1/20 0.41

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
SCHEMBL23221680 1.00 ITGB1 (0.57) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL21583785 0.89 PSMB5 (0.50) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL21581968 0.84 ITGB1 (0.67) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL21581967 0.84 ITGB1 (0.67) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL23201831 0.82 PSMB5 (0.66) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL23201830 0.82 PSMB5 (0.66) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL27607610 0.77 ITGB1 (0.60) ITGB1ITGA4PSMB5LMNAHPGD
SCHEMBL27607611 0.77 ITGB1 (0.60) ITGB1ITGA4PSMB5LMNAHPGD
SCHEMBL5927201 0.75 ITGB1 (0.66) ITGB1ITGA4PSMB5MCL1MRGPRX4
SCHEMBL8337586 0.73 ITGB1 (0.66) ITGB1ITGA4PSMB5MCL1MRGPRX4

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 4 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
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 4362/4885ITGB2 4448/4885
US-11542283-B2 Synthesis of peptide borate ester compound and use thereof SEM1, VIP, PSMB11 ITGB1 4133/4885ITGA4 4362/4885ITGB2 4448/4885

“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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