SCHEMBL21836141

SCHEMBL21836141

CC(C)(C)OC(=O)CCC(N)C(=O)NCCOCCOCCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 9/20 0.45
▸ PLK1 P53350 3/20 0.43
▸ CA2 P00918 2/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TLR1 Q15399 1/20 0.36
▸ DPP4 P27487 1/20 0.35
▸ DPP8 Q6V1X1 1/20 0.35
▸ DPP9 Q86TI2 1/20 0.35
▸ LTA4H P09960 1/20 0.35
▸ DPP7 Q9UHL4 2/20 0.35
▸ GAA P10253 1/20 0.33

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
SCHEMBL16757612 1.00 TLR2 (0.45) TLR2PLK1CA2MEN1KMT2A
SCHEMBL31463228 0.91 PLK1 (0.42) TLR2PLK1CA2MEN1KMT2A
SCHEMBL16791114 0.89 PLK1 (0.42) TLR2PLK1CA2MEN1KMT2A
SCHEMBL29131983 0.89 PLK1 (0.42) TLR2PLK1CA2MEN1KMT2A
SCHEMBL16757623 0.89 MEN1 (0.43) TLR2PLK1CA2MEN1KMT2A
SCHEMBL23417972 0.89 TLR2 (0.44) TLR2PLK1CA2MEN1KMT2A
SCHEMBL31756841 0.89 PLK1 (0.42) TLR2PLK1CA2MEN1KMT2A
SCHEMBL16757624 0.89 MEN1 (0.43) TLR2PLK1CA2MEN1KMT2A
SCHEMBL26232048 0.89 PLK1 (0.42) TLR2PLK1CA2MEN1KMT2A
SCHEMBL26689222 0.83 MEN1 (0.47) TLR2CA2MEN1KMT2ADPP7

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
CN-115504924-A Hydrazino-pyrrolo compounds and methods for forming conjugates 雷德伍德生物科技股份有限公司 2022-12-23 — — CN disclosed
CN-105744935-B Hydrazino-pyrrolo compounds and methods for forming conjugates 雷德伍德生物科技股份有限公司 2022-09-30 — — CN disclosed
CN-106456608-B anti-HER 2 antibody-maytansinoid conjugates and methods of use thereof 雷德伍德生物科技股份有限公司 2020-08-28 — — CN disclosed
US-10604483-B2 Hydrazinyl-pyrrolo compounds and methods for producing a conjugate REDWOOD BIOSCIENCE, INC. (US) 2020-03-31 — — US 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-10604483-B2 Hydrazinyl-pyrrolo compounds and methods for producing a conjugate DNPEP, QPCT, PDS5A TLR2 4743/4885PLK1 304/4885CA2 2978/4885

“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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