SCHEMBL12285382

SCHEMBL12285382

C=CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ CTSS P25774 3/20 0.50
▸ CTSK P43235 2/20 0.50
▸ CTSL P07711 1/20 0.50
▸ CTSB P07858 1/20 0.50
▸ TGM2 P21980 5/20 0.49
▸ PSMB8 P28062 1/20 0.48
▸ PSMB9 P28065 1/20 0.48
▸ PSMB5 P28074 1/20 0.48
▸ GNPAT O15228 1/20 0.48
▸ PTPN1 P18031 1/20 0.47
▸ AKT1 P31749 1/20 0.47
▸ P4HB P07237 1/20 0.46
▸ ACE P12821 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL8259105 0.92 CTSS (0.50) PAX8TDP1ALDH1A1CTSSCTSK
SCHEMBL17039853 0.89 FOLH1 (0.57) PAX8TDP1CTSSCTSKCTSL
SCHEMBL12285414 0.88 PSMB8 (0.47) PAX8TDP1ALDH1A1PSMB8PSMB9
SCHEMBL7850315 0.87 CTSK (0.62) PAX8TDP1CTSSCTSKCTSL
SCHEMBL16486871 0.87 MEN1 (0.52) TDP1ALDH1A1TGM2MEN1MAPT
SCHEMBL29773945 0.87 MEN1 (0.52) TDP1ALDH1A1TGM2MEN1MAPT
SCHEMBL16486872 0.87 MEN1 (0.52) TDP1ALDH1A1TGM2MEN1MAPT
SCHEMBL28074876 0.86 CA1 (0.57) PAX8TDP1ALDH1A1CTSSCTSK
SCHEMBL8243065 0.86 MAPT (0.51) PAX8TDP1ALDH1A1CTSSCTSK
SCHEMBL5303063 0.86 MAPT (0.51) PAX8TDP1ALDH1A1CTSSCTSK

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-20220298161-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF SPIROGEN SARL (CH) 2022-09-22 — — US disclosed
US-20180134717-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF SPIROGEN LIMITED (GB) 2018-05-17 — — US disclosed
EP-2528625-B1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF SPIROGEN SARL (CH) 2013-07-10 — — EP disclosed
WO-2011130598-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF SPIROGEN LIMITED (GB) 2011-10-20 — — 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 (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-20180134717-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF HDAC10, PBDC1, PDCD10 PAX8 1773/4885TDP1 751/4885ALDH1A1 1192/4885
US-20220298161-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF HDAC10, PBDC1, PDCD10 PAX8 1773/4885TDP1 751/4885ALDH1A1 1192/4885

“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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