SCHEMBL17616804

SCHEMBL17616804

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 3/20 0.38
PTPN13 Q12923 1/20 0.38
REN P00797 4/20 0.38
HDAC8 Q9BY41 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL17616878 1.00 PTPRC (0.38) PTPRCPTPN13RENHDAC8L3MBTL1
SCHEMBL19257261 1.00 PTPRC (0.38) PTPRCPTPN13RENHDAC8L3MBTL1
SCHEMBL18411707 0.95 REN (0.37) PTPRCPTPN13RENHDAC8L3MBTL1
SCHEMBL17570939 0.91 CASP1 (0.38) PTPRCPTPN13RENHDAC8L3MBTL1
SCHEMBL19656337 0.91 CASP1 (0.38) PTPRCPTPN13RENHDAC8L3MBTL1
SCHEMBL17571008 0.89 PTPRC (0.39) PTPRCPTPN13RENHDAC8L3MBTL1
SCHEMBL21990731 0.89 PTPRC (0.39) PTPRCPTPN13RENHDAC8L3MBTL1
SCHEMBL17570949 0.89 PTPRC (0.39) PTPRCPTPN13RENHDAC8L3MBTL1
SCHEMBL19245567 0.88 PTPRC (0.34) PTPRCPTPN13RENHDAC8L3MBTL1
SCHEMBL31011009 0.87 PTPRC (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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230233697-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2023-07-27 US disclosed
US-10722588-B2 Cytotoxic benzodiazepine derivatives IMMUNOGEN, INC. (US) 2020-07-28 US disclosed
US-20190269786-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2019-09-05 US disclosed
US-10238751-B2 Cytotoxic benzodiazepine derivatives IMMUNOGEN, INC. (US) 2019-03-26 US disclosed
US-20170340748-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2017-11-30 US disclosed
US-9669102-B2 Cytotoxic benzodiazepine derivatives IMMUNOGEN, INC. (US) 2017-06-06 US disclosed
US-20160082114-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2016-03-24 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 (6 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-10238751-B2 Cytotoxic benzodiazepine derivatives GABRA6, GABBR1, GABRA5 PTPRC 3267/4885PTPN13 4549/4885REN 3868/4885
US-20230233697-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA6, GABBR1, GABRA5 PTPRC 3267/4885PTPN13 4549/4885REN 3868/4885
US-20160082114-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA6, GABBR1, GABRA5 PTPRC 3267/4885PTPN13 4549/4885REN 3868/4885
US-10722588-B2 Cytotoxic benzodiazepine derivatives GABRA6, GABBR1, GABRA5 PTPRC 3267/4885PTPN13 4549/4885REN 3868/4885
US-20190269786-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA6, GABBR1, GABRA5 PTPRC 3267/4885PTPN13 4549/4885REN 3868/4885
US-20170340748-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA6, GABBR1, GABRA5 PTPRC 3267/4885PTPN13 4549/4885REN 3868/4885

“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.