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Sugi Predict / Compounds / SCHEMBL17570939

SCHEMBL17570939

SCHEMBL17570939

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 1/20 0.38
▸ CTSD P07339 2/20 0.36
▸ PTPRC P08575 3/20 0.36
▸ PTPN13 Q12923 1/20 0.36
▸ HDAC8 Q9BY41 2/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MAPT P10636 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ REN P00797 1/20 0.33
▸ MEN1 O00255 1/20 0.32

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
SCHEMBL19656337 1.00 CASP1 (0.38) CASP1CTSDPTPRCPTPN13HDAC8
SCHEMBL17616804 0.91 PTPRC (0.38) PTPRCPTPN13HDAC8HDAC1HDAC6
SCHEMBL17616878 0.91 PTPRC (0.38) PTPRCPTPN13HDAC8HDAC1HDAC6
SCHEMBL19257261 0.91 PTPRC (0.38) PTPRCPTPN13HDAC8HDAC1HDAC6
SCHEMBL19656354 0.90 CASP1 (0.38) CASP1CTSDPTPRCPTPN13HDAC8
SCHEMBL17570948 0.90 CASP1 (0.38) CASP1CTSDPTPRCPTPN13HDAC8
SCHEMBL22854133 0.89 CASP1 (0.43) CASP1CTSDHDAC8HDAC1HDAC6
SCHEMBL22064356 0.89 CASP1 (0.43) CASP1CTSDHDAC8HDAC1HDAC6
SCHEMBL18924074 0.89 CASP1 (0.39) CASP1CTSDHDAC8HDAC1HDAC6
SCHEMBL17571020 0.88 CASP1 (0.38) CASP1CTSDHDAC8HDAC1HDAC6

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 8 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-20230233697-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2023-07-27 — — US disclosed
EP-3778601-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES ImmunoGen, Inc. (US) 2021-02-17 — — EP disclosed
EP-3189056-B1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN INC (US) 2020-06-10 — — EP 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
WO-2016036801-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES 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 (3 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-20230233697-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA6, GABBR1, GABRA5 CASP1 1683/4885CTSD 4546/4885PTPRC 3267/4885
US-20160082114-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA6, GABBR1, GABRA5 CASP1 1683/4885CTSD 4546/4885PTPRC 3267/4885
US-20170340748-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA6, GABBR1, GABRA5 CASP1 1683/4885CTSD 4546/4885PTPRC 3267/4885

“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.