SCHEMBL21118854

SCHEMBL21118854

COc1ccc(C(NCCCCC(NC(=O)COCC(=O)NCCOCCN=[N+]=[N-])C(=O)NC(CO)C(C)C)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 5/20 0.36
▸ GLP1R P43220 5/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32
▸ PSMB5 P28074 1/20 0.32
▸ HTRA1 Q92743 1/20 0.32
▸ ALB P02768 1/20 0.31
▸ CPA1 P15085 1/20 0.31
▸ CPA2 P48052 1/20 0.31
▸ CPA4 Q9UI42 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ MMP9 P14780 1/20 0.31
▸ MMP8 P22894 1/20 0.31
▸ MMP13 P45452 1/20 0.31
▸ FURIN P09958 1/20 0.30
▸ CNR1 P21554 1/20 0.30
▸ CNR2 P34972 1/20 0.30

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
SCHEMBL22388632 0.97 FOLH1 (0.37) FOLH1HDAC1HDAC7PSMB5HTRA1
SCHEMBL19732156 0.87 FOLH1 (0.37) FOLH1HDAC1HDAC7
SCHEMBL25245450 0.87 FOLH1 (0.35) FOLH1GLP1RHDAC1HDAC7
SCHEMBL25242024 0.86 FOLH1 (0.37) FOLH1HDAC1HDAC7
SCHEMBL25242026 0.86 FOLH1 (0.37) FOLH1HDAC1HDAC7
SCHEMBL31681443 0.80 SIRT1 (0.37) GLP1RALBCPA1CPA2CPA4
SCHEMBL27190126 0.77 HDAC8 (0.34) GLP1RHDAC1HDAC7
SCHEMBL27189832 0.77 HDAC8 (0.34) GLP1RHDAC1HDAC7
SCHEMBL25218460 0.76 HDAC8 (0.36) GLP1RHDAC1HDAC7
SCHEMBL26066853 0.75 HDAC8 (0.39) HDAC1HDAC7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11541047-B2 Dosages of immunoconjugates of antibodies and SN-38 for improved efficacy and decreased toxicity IMMUNOMEDICS, INC. (US) 2023-01-03 — — US disclosed
US-20200316054-A1 DOSAGES OF IMMUNOCONJUGATES OF ANTIBODIES AND SN-38 FOR IMPROVED EFFICACY AND DECREASED TOXICITY IMMUNOMEDICS, INC. 2020-10-08 — — US disclosed
US-20190167805-A1 Immunoconjugates with an Intracellularly-Cleavable Linkage IMMUNOMEDICS, INC. 2019-06-06 — — 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-20200316054-A1 DOSAGES OF IMMUNOCONJUGATES OF ANTIBODIES AND SN-38 FOR IMPROVED EFFICACY AND DECREASED TOXICITY CD74, CD2, CD22 FOLH1 142/4885GLP1R 2022/4885HDAC1 3175/4885
US-11541047-B2 Dosages of immunoconjugates of antibodies and SN-38 for improved efficacy and decreased toxicity CD74, CD2, CD22 FOLH1 142/4885GLP1R 2022/4885HDAC1 3175/4885
US-20190167805-A1 Immunoconjugates with an Intracellularly-Cleavable Linkage CD47, CD44, DNPEP FOLH1 5/4885GLP1R 4061/4885HDAC1 2407/4885

“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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