SCHEMBL22064356

SCHEMBL22064356

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.43
CTSD P07339 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
BACE1 P56817 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HRH1 P35367 1/20 0.33
SDCBP O00560 1/20 0.32
SDC2 P34741 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
SCHEMBL22854133 1.00 CASP1 (0.43) CASP1CTSDHDAC3HDAC4HDAC1
SCHEMBL18924074 0.91 CASP1 (0.39) CASP1CTSDHDAC3HDAC4HDAC1
SCHEMBL17571020 0.90 CASP1 (0.38) CASP1CTSDHDAC3HDAC4HDAC1
SCHEMBL17570939 0.89 CASP1 (0.38) CASP1CTSDHDAC3HDAC4HDAC1
SCHEMBL19656337 0.89 CASP1 (0.38) CASP1CTSDHDAC3HDAC4HDAC1
SCHEMBL18924075 0.88 CASP1 (0.37) CASP1CTSDHDAC3HDAC4HDAC1
SCHEMBL19257559 0.80 TOP2A (0.36) CASP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL28602572 0.80 TOP2A (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28602574 0.80 TOP2A (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20442335 0.80 HDAC3 (0.47) CASP1HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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

For each of this compound's patents that has machine-readable text (1 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 4546/4885HDAC3 535/4885

“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.