SCHEMBL2558967

SCHEMBL2558967

CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.63
▸ MDM4 O15151 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ KMT2A Q03164 2/20 0.47
▸ PIN1 Q13526 1/20 0.45
▸ EPHX2 P34913 1/20 0.45

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
SCHEMBL29415586 1.00 CASP3 (0.63) CASP3MDM4TP53KMT2APIN1
SCHEMBL29423393 1.00 CASP3 (0.63) CASP3MDM4TP53KMT2APIN1
SCHEMBL29493550 1.00 CASP3 (0.63) CASP3MDM4TP53KMT2APIN1
SCHEMBL15480253 1.00 CASP3 (0.63) CASP3MDM4TP53KMT2APIN1
SCHEMBL8904188 1.00 CASP3 (0.63) CASP3MDM4TP53KMT2APIN1
SCHEMBL29415589 1.00 CASP3 (0.63) CASP3MDM4TP53KMT2APIN1
SCHEMBL16401903 1.00 CASP3 (0.63) CASP3MDM4TP53KMT2APIN1
SCHEMBL2558970 1.00 CASP3 (0.63) CASP3MDM4TP53KMT2APIN1
SCHEMBL22283176 1.00 CASP3 (0.63) CASP3MDM4TP53KMT2APIN1
SCHEMBL23138547 0.94 CASP3 (0.58) CASP3MDM4TP53KMT2AEPHX2

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 90 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11779650-B2 Pyrrolobenzodiazepine-antibody conjugates MEDIMMUNE LIMITED (GB) 2023-10-10 — — US disclosed
US-11771775-B2 Pyrrolobenzodiazepine-antibody conjugates MEDIMMUNE LIMITED (GB) 2023-10-03 — — US disclosed
US-11690918-B2 Pyrrolobenzodiazepine-anti-CD22 antibody conjugates MEDIMMUNE LIMITED (GB) 2023-07-04 — — US disclosed
EP-4039280-A1 TARGETED PYRROLOBENZODIAZEPINE CONJUGATES Seagen Inc. (US) 2022-08-10 — — EP disclosed
EP-2558127-B1 TARGETED PYRROLOBENZODIAZEPINE CONJUGATES SEAGEN INC (US) 2022-01-19 — — EP disclosed
US-20210137940-A1 PYRROLOBENZODIAZEPINE-ANTI-PSMA ANTIBODY CONJUGATES OWL ROCK OPPORTUNISTIC MASTER FUND I, L.P. 2021-05-13 — — US disclosed
US-20200405880-A1 PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES BLUE OWL OPPORTUNISTIC MASTER FUND I, L.P. (FORMERLY KNOWN AS OWL ROCK OPPORTUNISTIC MASTER FUND I, L.P.) 2020-12-31 — — US disclosed
EP-3470086-B1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MEDIMMUNE LTD (GB) 2020-11-25 — — EP disclosed
US-20200345861-A1 PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES BLUE OWL OPPORTUNISTIC MASTER FUND I, L.P. (FORMERLY KNOWN AS OWL ROCK OPPORTUNISTIC MASTER FUND I, L.P.) 2020-11-05 — — US disclosed
US-10799596-B2 Pyrrolobenzodiazepine-antibody conjugates ADC THERAPEUTICS S.A. (CH) 2020-10-13 — — US disclosed
WO-2015052321-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF SPIROGEN SÀRL (CH) 2015-04-16 — — WO disclosed
WO-2015052533-A1 PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES SPIROGEN SÀRL (CH) 2015-04-16 — — WO disclosed
WO-2015052534-A1 PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES SPIROGEN SÀRL (CH) 2015-04-16 — — WO disclosed
WO-2014130879-A2 NOVEL ANTIBODY CONJUGATES AND USES THEREOF STEM CENTRX, INC. (US) 2014-08-28 — — WO disclosed
US-20140120118-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF SPIROGEN SÀRL (CH) 2014-05-01 — — US disclosed
EP-2558127-A1 TARGETED PYRROLOBENZODIAZAPINE CONJUGATES Seattle Genetics, Inc. (US) 2013-02-20 — — EP disclosed
US-20130028919-A1 TARGETED PYRROLOBENZODIAZAPINE CONJUGATES SPIROGEN DEVELOPMENTS SÀRL (CH) 2013-01-31 — — US disclosed
US-20130028919-A1 TARGETED PYRROLOBENZODIAZAPINE CONJUGATES SPIROGEN DEVELOPMENTS SÀRL (CH) 2013-01-31 — — US disclosed
WO-2011130613-A1 TARGETED PYRROLOBENZODIAZAPINE CONJUGATES SEATTLE GENETICS, INC. (US) 2011-10-20 — — WO disclosed
WO-2011130613-A1 TARGETED PYRROLOBENZODIAZAPINE CONJUGATES SEATTLE GENETICS, INC. (US) 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 (9 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-20200345861-A1 PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES CD79B, BCL6B, BCL6 CASP3 3033/4885MDM4 2543/4885TP53 2699/4885
US-11690918-B2 Pyrrolobenzodiazepine-anti-CD22 antibody conjugates CD22, CD2, CD2BP2 CASP3 2594/4885MDM4 2816/4885TP53 3412/4885
US-11779650-B2 Pyrrolobenzodiazepine-antibody conjugates IL2RA, CD4, IL2 CASP3 3515/4885MDM4 2050/4885TP53 1477/4885
US-20210137940-A1 PYRROLOBENZODIAZEPINE-ANTI-PSMA ANTIBODY CONJUGATES PSMA2, PSMA7, FOLH1 CASP3 2155/4885MDM4 1229/4885TP53 1591/4885
US-11771775-B2 Pyrrolobenzodiazepine-antibody conjugates CD79B, BCL6B, BCL6 CASP3 3033/4885MDM4 2543/4885TP53 2699/4885
US-20140120118-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF CLTB, CD79B, BCL6B CASP3 229/4885MDM4 2882/4885TP53 484/4885
US-20200405880-A1 PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES IL2RA, CD4, IL2 CASP3 3515/4885MDM4 2050/4885TP53 1477/4885
US-20130028919-A1 TARGETED PYRROLOBENZODIAZAPINE CONJUGATES QDPR, SBDS, DNPEP CASP3 2518/4885MDM4 1900/4885TP53 2607/4885
US-10799596-B2 Pyrrolobenzodiazepine-antibody conjugates IL2RA, CD4, IL2 CASP3 3515/4885MDM4 2050/4885TP53 1477/4885

“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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