SCHEMBL29400684

SCHEMBL29400684

O=C(NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.58
KMT2A Q03164 1/20 0.57
HDAC1 Q13547 1/20 0.55
HDAC2 Q92769 1/20 0.55
SIRT2 Q8IXJ6 1/20 0.52
SIRT1 Q96EB6 1/20 0.52
ITGB3 P05106 1/20 0.52
ITGAV P06756 1/20 0.52
MDM2 Q00987 5/20 0.51
MDM4 O15151 1/20 0.50
TP53 P04637 1/20 0.50
TLR2 O60603 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50

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
SCHEMBL120774 1.00 FOLH1 (0.58) FOLH1KMT2AHDAC1HDAC2SIRT2
SCHEMBL23574786 1.00 FOLH1 (0.58) FOLH1KMT2AHDAC1HDAC2SIRT2
SCHEMBL119447 1.00 FOLH1 (0.58) FOLH1KMT2AHDAC1HDAC2SIRT2
SCHEMBL23574788 1.00 FOLH1 (0.58) FOLH1KMT2AHDAC1HDAC2SIRT2
SCHEMBL31624479 0.97 FOLH1 (0.62) FOLH1KMT2AHDAC1HDAC2SIRT2
SCHEMBL178815 0.97 FOLH1 (0.62) FOLH1KMT2AHDAC1HDAC2SIRT2
SCHEMBL22804067 0.97 FOLH1 (0.62) FOLH1KMT2AHDAC1HDAC2SIRT2
SCHEMBL8823890 0.97 FOLH1 (0.62) FOLH1KMT2AHDAC1HDAC2SIRT2
SCHEMBL178700 0.97 FOLH1 (0.62) FOLH1KMT2AHDAC1HDAC2SIRT2
SCHEMBL29401850 0.97 FOLH1 (0.62) FOLH1KMT2AHDAC1HDAC2SIRT2

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-4425181-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE Bertis Inc (KR) 2024-09-04 EP disclosed
US-20240011979-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS INC. (KR) 2024-01-11 US disclosed
CN-116829949-A Compositions for detecting or measuring analytes 伯蒂斯有限公司 2023-09-29 CN disclosed
WO-2023075435-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE 주식회사 베르티스 2023-05-04 WO disclosed
US-20220411468-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII HOFFMANN-LA ROCHE INC. (US) 2022-12-29 US disclosed
US-20220283131-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS CO., LTD. (KR) 2022-09-08 US disclosed
WO-2022050529-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE ㈜베르티스 2022-03-10 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 (1 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-20220411468-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII VIP, ARG1, CX3CR1 FOLH1 3710/4885KMT2A 4041/4885HDAC1 2188/4885

“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.