SCHEMBL18538982

SCHEMBL18538982

COC(=O)c1cc(CO)cc(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
LMNA P02545 2/20 0.43
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPT P10636 3/20 0.40
CYP17A1 P05093 1/20 0.40
LCK P06239 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.40
XBP1 P17861 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTPN11 Q06124 1/20 0.40
TOP2A P11388 1/20 0.39
TOP2B Q02880 1/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL18411800 0.90 KDM4E (0.50) KDM4ELMNAALDH1A1HSD17B10MAPT
SCHEMBL22480889 0.88 KDM4E (0.50) KDM4ELMNAALDH1A1HSD17B10MAPT
SCHEMBL7383587 0.87 KDM4E (0.57) KDM4ELMNAALDH1A1HSD17B10MAPT
SCHEMBL15858102 0.87 KDM4E (0.61) KDM4ELMNAALDH1A1HSD17B10MAPT
SCHEMBL15858093 0.87 CYP17A1 (0.47) CYP17A1LCKTOP2ATOP2BHDAC3
SCHEMBL6627242 0.87 CYP17A1 (0.47) CYP17A1LCKTOP2ATOP2BHDAC3
SCHEMBL22469882 0.84 KDM4E (0.55) KDM4ELMNAALDH1A1HSD17B10MAPT
SCHEMBL31568470 0.84 KDM4E (0.55) KDM4ELMNAALDH1A1HSD17B10MAPT
SCHEMBL4309080 0.83 KDM4E (0.50) KDM4ELMNAALDH1A1HSD17B10MAPT
SCHEMBL89282 0.82 KMT2A (0.45) ALDH1A1CYP17A1LCKMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257400-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2023-08-17 US disclosed
US-20230257400-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2023-08-17 US disclosed
EP-3778602-B1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN INC (US) 2023-07-12 EP disclosed
EP-4163284-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES ImmunoGen, Inc. (US) 2023-04-12 EP disclosed
US-20210171546-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2021-06-10 US disclosed
US-20210171547-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2021-06-10 US disclosed
EP-3778602-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES ImmunoGen, Inc. (US) 2021-02-17 EP disclosed
US-10787463-B2 Methods of preparing cytotoxic benzodiazepine derivatives IMMUNOGEN, INC. (US) 2020-09-29 US disclosed
EP-3325482-B1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN INC (US) 2020-06-24 EP disclosed
EP-3653628-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES ImmunoGen, Inc. (US) 2020-05-20 EP disclosed
EP-3325483-B1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN INC (US) 2019-10-02 EP disclosed
US-10370389-B2 Methods of preparing cytotoxic benzodiazepine derivatives IMMUNOGEN, INC. (US) 2019-08-06 US disclosed
US-20190112320-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2019-04-18 US disclosed
US-9873708-B2 Methods of preparing cytotoxic benzodiazepine derivatives IMMUNOGEN, INC. (US) 2018-01-23 US disclosed
US-9873708-B2 Methods of preparing cytotoxic benzodiazepine derivatives IMMUNOGEN, INC. (US) 2018-01-23 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-20170051011-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2017-02-23 US disclosed
US-20170050985-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2017-02-23 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 (8 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-10787463-B2 Methods of preparing cytotoxic benzodiazepine derivatives GABRA3, GABRA5, GABRB3 KDM4E 2896/4885LMNA 809/4885ALDH1A1 2133/4885
US-20210171547-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA3, GABRA5, GABRB3 KDM4E 2896/4885LMNA 809/4885ALDH1A1 2133/4885
US-20210171546-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA3, GABRA5, GABRB3 KDM4E 2896/4885LMNA 809/4885ALDH1A1 2133/4885
US-20230257400-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA3, GABRA5, GABRB3 KDM4E 2896/4885LMNA 809/4885ALDH1A1 2133/4885
US-10370389-B2 Methods of preparing cytotoxic benzodiazepine derivatives GABRA3, GABRA5, GABRB3 KDM4E 2896/4885LMNA 809/4885ALDH1A1 2133/4885
US-20190112320-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA3, GABRA5, GABRB3 KDM4E 2896/4885LMNA 809/4885ALDH1A1 2133/4885
US-20170050985-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA3, GABRA5, GABRB3 KDM4E 2896/4885LMNA 809/4885ALDH1A1 2133/4885
US-20170051011-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA3, GABRA5, GABRB3 KDM4E 2896/4885LMNA 809/4885ALDH1A1 2133/4885

“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.