SCHEMBL23201828

SCHEMBL23201828

COC(=O)C(NC(=O)c1cc(Cl)ccc1Cl)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.51
TAS1R3 Q7RTX0 2/20 0.51
TAS1R1 Q7RTX1 2/20 0.51
TAS1R2 Q8TE23 1/20 0.51
MMP13 P45452 1/20 0.45
METAP2 P50579 1/20 0.45
PYGL P06737 3/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
PSMB5 P28074 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL21583789 1.00 SLC6A3 (0.51) SLC6A3TAS1R3TAS1R1TAS1R2MMP13
SCHEMBL21583783 1.00 SLC6A3 (0.51) SLC6A3TAS1R3TAS1R1TAS1R2MMP13
SCHEMBL21583749 0.86 PYGL (0.55) TAS1R3TAS1R1TAS1R2METAP2PYGL
SCHEMBL23201911 0.86 PYGL (0.55) TAS1R3TAS1R1TAS1R2METAP2PYGL
SCHEMBL23201905 0.86 PYGL (0.55) TAS1R3TAS1R1TAS1R2METAP2PYGL
SCHEMBL23221931 0.78 METAP2 (0.46) TAS1R3TAS1R1TAS1R2MMP13METAP2
SCHEMBL27409724 0.77 ALDH1A1 (0.61) TAS1R3TAS1R1TAS1R2ALDH1A1SMN1; SMN2
SCHEMBL23221756 0.77 PSMB5 (0.68) PSMB5
SCHEMBL23641107 0.77 PSMB5 (0.68) PSMB5
SCHEMBL23221930 0.77 PSMB5 (0.68) PSMB5

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 7 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
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-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
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

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 SLC6A3 3322/4885TAS1R3 4434/4885TAS1R1 4310/4885
US-11542283-B2 Synthesis of peptide borate ester compound and use thereof SEM1, VIP, PSMB11 SLC6A3 3322/4885TAS1R3 4434/4885TAS1R1 4310/4885

“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.