SCHEMBL16791114

SCHEMBL16791114

CCOCCOCCNC(=O)[C@@H](N)CCC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ DPP7 Q9UHL4 2/20 0.38
▸ TLR2 O60603 12/20 0.38
▸ RRM1 P23921 1/20 0.36
▸ CA2 P00918 1/20 0.35
▸ GNAI3 P08754 1/20 0.35
▸ GNAO1 P09471 1/20 0.35
▸ GNAI1 P63096 1/20 0.35

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
SCHEMBL31756841 0.90 PLK1 (0.42) PLK1MEN1KMT2ADPP7TLR2
SCHEMBL29131983 0.90 PLK1 (0.42) PLK1MEN1KMT2ADPP7TLR2
SCHEMBL26232048 0.90 PLK1 (0.42) PLK1MEN1KMT2ADPP7TLR2
SCHEMBL16757624 0.90 MEN1 (0.43) PLK1MEN1KMT2ADPP7TLR2
SCHEMBL16757623 0.90 MEN1 (0.43) PLK1MEN1KMT2ADPP7TLR2
SCHEMBL23417972 0.90 TLR2 (0.44) PLK1MEN1KMT2ADPP7TLR2
SCHEMBL16757612 0.89 TLR2 (0.45) PLK1MEN1KMT2ADPP7TLR2
SCHEMBL21836141 0.89 TLR2 (0.45) PLK1MEN1KMT2ADPP7TLR2
SCHEMBL19506154 0.88 CTSS (0.37) PLK1DPP7TLR2
SCHEMBL23463183 0.88 PLK1 (0.40) PLK1MEN1KMT2ADPP7TLR2

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-20170049907-A1 HYDRAZINYL-PYRROLO COMPOUNDS AND METHODS FOR PRODUCING A CONJUGATE CATALENT PHARMA SOLUTIONS, LLC 2017-02-23 — — US disclosed
US-9493413-B2 Hydrazinyl-pyrrolo compounds and methods for producing a conjugate REDWOOD BIOSCIENCE, INC. (US) 2016-11-15 — — US disclosed
US-20150352225-A1 Anti-Her2 Antibody-Maytansine Conjugates and Methods of Use Thereof R.P. SCHERER TECHNOLOGIES, INC. 2015-12-10 — — US disclosed
US-20150157736-A1 HYDRAZINYL-PYRROLO COMPOUNDS AND METHODS FOR PRODUCING A CONJUGATE R.P. SCHERER TECHNOLOGIES, LLC 2015-06-11 — — 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 (3 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-20150157736-A1 HYDRAZINYL-PYRROLO COMPOUNDS AND METHODS FOR PRODUCING A CONJUGATE DNPEP, QPCT, PDS5A PLK1 304/4885MEN1 903/4885KMT2A 1630/4885
US-20170049907-A1 HYDRAZINYL-PYRROLO COMPOUNDS AND METHODS FOR PRODUCING A CONJUGATE DNPEP, QPCT, PDS5A PLK1 304/4885MEN1 903/4885KMT2A 1630/4885
US-20150352225-A1 Anti-Her2 Antibody-Maytansine Conjugates and Methods of Use Thereof ERBB2, EGFR, ERBB3 PLK1 665/4885MEN1 2819/4885KMT2A 976/4885

“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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