SCHEMBL22482987

SCHEMBL22482987

Cc1ccc(NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCOOCCOCCNC(=O)CCN2C(=O)C=CC2=O)C(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 1/20 0.36
▸ CA12 O43570 2/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA4 P22748 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ CA14 Q9ULX7 2/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ HTT P42858 1/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ HDAC3 O15379 2/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HDAC4 P56524 1/20 0.31
▸ HDAC7 Q8WUI4 1/20 0.31

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
SCHEMBL18019443 0.98 NR3C1 (0.37) NR3C1CA12CA1CA2CA4
SCHEMBL16945805 0.97 NR3C1 (0.38) NR3C1CA12CA1CA2CA4
SCHEMBL19211630 0.90 NR3C1 (0.37) NR3C1CA12CA1CA2CA4
SCHEMBL23961616 0.89 NR3C1 (0.38) NR3C1CA12CA1CA2CA4
SCHEMBL24898123 0.89 NR3C1 (0.38) NR3C1CA12CA1CA2CA4
SCHEMBL23846023 0.89 NR3C1 (0.38) NR3C1CA12CA1CA2CA4
SCHEMBL27432928 0.89 NR3C1 (0.36) NR3C1CA12CA1CA2CA4
SCHEMBL20527288 0.88 NR3C1 (0.36) NR3C1CA12CA1CA2CA4
SCHEMBL24781307 0.87 NR3C1 (0.35) NR3C1CA12CA1CA2CA4
SCHEMBL22910463 0.87 NR3C1 (0.35) NR3C1CA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10994023-B2 Pyrrolobenzodiazepines and conjugates thereof MEDIMMUNE LIMITED (GB) 2021-05-04 — — US disclosed
US-20200306386-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MEDIMMUNE LIMITED (GB) 2020-10-01 — — 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 (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-20200306386-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF CD47, PML, GZMB NR3C1 1079/4885CA12 1177/4885CA1 833/4885
US-10994023-B2 Pyrrolobenzodiazepines and conjugates thereof CD47, PML, GZMB NR3C1 1079/4885CA12 1177/4885CA1 833/4885

“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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