SCHEMBL17570949

SCHEMBL17570949

COC(=O)CCCCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)Nc1cc(CO)cc(CO)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 3/20 0.39
PTPN13 Q12923 1/20 0.39
REN P00797 4/20 0.38
HDAC8 Q9BY41 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL21990731 1.00 PTPRC (0.39) PTPRCPTPN13RENHDAC8L3MBTL1
SCHEMBL17571008 1.00 PTPRC (0.39) PTPRCPTPN13RENHDAC8L3MBTL1
SCHEMBL31011009 0.98 PTPRC (0.40) PTPRCPTPN13RENHDAC8L3MBTL1
SCHEMBL18411642 0.96 REN (0.38) PTPRCPTPN13RENHDAC8L3MBTL1
SCHEMBL22005968 0.96 REN (0.38) PTPRCPTPN13RENHDAC8L3MBTL1
SCHEMBL21990730 0.96 REN (0.38) PTPRCPTPN13RENHDAC8L3MBTL1
SCHEMBL17570948 0.91 CASP1 (0.38) PTPRCPTPN13RENHDAC8L3MBTL1
SCHEMBL19656354 0.91 CASP1 (0.38) PTPRCPTPN13RENHDAC8L3MBTL1
SCHEMBL18411799 0.90 RECQL (0.40) PTPRCPTPN13RENHDAC8L3MBTL1
SCHEMBL18913933 0.90 RECQL (0.40) PTPRCPTPN13RENHDAC8L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11981688-B2 Methods of preparing cytotoxic benzodiazepine derivatives IMMUNOGEN, INC. (US) 2024-05-14 US disclosed
EP-4361128-A2 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES ImmunoGen, Inc. (US) 2024-05-01 EP disclosed
EP-3880681-B1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN INC (US) 2024-03-13 EP disclosed
EP-3380525-B1 PHARMACEUTICAL FORMULATIONS AND METHODS OF USE THEREOF IMMUNOGEN INC (US) 2023-11-08 EP disclosed
US-11732038-B2 Conjugates comprising cell-binding agents and cytotoxic agents IMMUNOGEN, INC. (US) 2023-08-22 US disclosed
US-20230257400-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2023-08-17 US disclosed
US-20230233697-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2023-07-27 US disclosed
US-20230233697-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2023-07-27 US disclosed
EP-4163284-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES ImmunoGen, Inc. (US) 2023-04-12 EP disclosed
US-20230045079-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2023-02-09 US disclosed
US-9669102-B2 Cytotoxic benzodiazepine derivatives IMMUNOGEN, INC. (US) 2017-06-06 US disclosed
US-20170050985-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2017-02-23 US disclosed
US-20170051011-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2017-02-23 US disclosed
US-20170029514-A1 ANTI-CD123 ANTIBODIES AND CONJUGATES AND DERIVATIVES THEREOF IMMUNOGEN, INC. 2017-02-02 US disclosed
WO-2017015496-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. (US) 2017-01-26 WO disclosed
WO-2017004026-A1 ANTI-CD 123 ANTIBODIES AND CONJUGATES AND DERIVATIVES THEREOF IMMUNOGEN, INC. (US) 2017-01-05 WO disclosed
US-20160095938-A1 CONJUGATES COMPRISING CELL-BINDING AGENTS AND CYTOTOXIC AGENTS IMMUNOGEN, INC. 2016-04-07 US disclosed
US-20160082114-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2016-03-24 US disclosed
WO-2016036801-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. (US) 2016-03-10 WO disclosed
WO-2016036794-A1 CONJUGATES COMPRISING CELL-BINDING AGENTS AND CYTOTOXIC AGENTS IMMUNOGEN, INC. (US) 2016-03-10 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 (10 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-11981688-B2 Methods of preparing cytotoxic benzodiazepine derivatives GABRA3, GABRA5, GABRA6 PTPRC 4416/4885PTPN13 4698/4885REN 4348/4885
US-20230045079-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA3, GABRA5, GABRA6 PTPRC 4416/4885PTPN13 4698/4885REN 4348/4885
US-11732038-B2 Conjugates comprising cell-binding agents and cytotoxic agents PCNA, EPCAM, MKI67 PTPRC 974/4885PTPN13 4074/4885REN 4175/4885
US-20230233697-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA6, GABBR1, GABRA5 PTPRC 3267/4885PTPN13 4549/4885REN 3868/4885
US-20230257400-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA3, GABRA5, GABRB3 PTPRC 4297/4885PTPN13 4711/4885REN 4485/4885
US-20160082114-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA6, GABBR1, GABRA5 PTPRC 3267/4885PTPN13 4549/4885REN 3868/4885
US-20170050985-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA3, GABRA5, GABRB3 PTPRC 4297/4885PTPN13 4711/4885REN 4485/4885
US-20170051011-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA3, GABRA5, GABRB3 PTPRC 4297/4885PTPN13 4711/4885REN 4485/4885
US-20170029514-A1 ANTI-CD123 ANTIBODIES AND CONJUGATES AND DERIVATIVES THEREOF IL23R, CD22, IL2RA PTPRC 92/4885PTPN13 522/4885REN 2953/4885
US-20160095938-A1 CONJUGATES COMPRISING CELL-BINDING AGENTS AND CYTOTOXIC AGENTS PCNA, EPCAM, MKI67 PTPRC 974/4885PTPN13 4074/4885REN 4175/4885

“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.