SCHEMBL19656347

SCHEMBL19656347

COC(=O)CCCCC(=O)NC(C(=O)N[C@@H](C)C(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSENEN Q9NZ42 1/20 0.40
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
REN P00797 3/20 0.36
RECQL P46063 1/20 0.36
CASP1 P29466 1/20 0.36
KLK5 Q9Y337 1/20 0.36
CTSD P07339 1/20 0.35
TSHR P16473 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
SDCBP O00560 1/20 0.34
SDC2 P34741 1/20 0.34
BIRC2 Q13490 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
SCHEMBL25908085 1.00 PSENEN (0.40) PSENENCTSSCTSKRENRECQL
SCHEMBL17570956 0.88 RECQL (0.39) RENRECQLTSHRBIRC2
SCHEMBL17616958 0.88 RECQL (0.39) RENRECQLTSHRBIRC2
SCHEMBL18924152 0.83 TSHR (0.36) RECQLCASP1TSHR
SCHEMBL22064142 0.83 CTSS (0.45) CTSSCTSKRECQLKLK5TSHR
SCHEMBL17570945 0.82 FAAH (0.43) RECQLCASP1TSHR
SCHEMBL18924154 0.82 FAAH (0.43) RECQLCASP1TSHR
SCHEMBL22987392 0.81 ALDH1A1 (0.38) RENRECQLTSHRBIRC2
SCHEMBL18888772 0.81 CTSS (0.43) PSENENCTSSCTSKKLK5CA1
SCHEMBL18888771 0.81 CTSS (0.43) PSENENCTSSCTSKKLK5CA1

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-11116845-B2 Cytotoxic benzodiazepine derivatives IMMUNOGEN, INC. (US) 2021-09-14 US disclosed
US-20200405870-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2020-12-31 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 PSENEN 3822/4885CTSS 4599/4885CTSK 4561/4885
US-11116845-B2 Cytotoxic benzodiazepine derivatives GABRA6, GABBR1, GABRA5 PSENEN 3822/4885CTSS 4599/4885CTSK 4561/4885
US-20200405870-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA6, GABBR1, GABRA5 PSENEN 3822/4885CTSS 4599/4885CTSK 4561/4885
US-20230233697-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA6, GABBR1, GABRA5 PSENEN 3822/4885CTSS 4599/4885CTSK 4561/4885
US-10722588-B2 Cytotoxic benzodiazepine derivatives GABRA6, GABBR1, GABRA5 PSENEN 3822/4885CTSS 4599/4885CTSK 4561/4885
US-20190269786-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA6, GABBR1, GABRA5 PSENEN 3822/4885CTSS 4599/4885CTSK 4561/4885
US-20170340748-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA6, GABBR1, GABRA5 PSENEN 3822/4885CTSS 4599/4885CTSK 4561/4885

“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.