SCHEMBL23071835

SCHEMBL23071835

CC(C)[C@H](NC(=O)CCCCN)C(=O)N[C@@H](C)C(=O)NCC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CPB2 Q96IY4 1/20 0.39
CASP1 P29466 1/20 0.39
NMT2 O60551 1/20 0.38
NMT1 P30419 1/20 0.38
CTSL P07711 1/20 0.36
PGA5 P0DJD9 2/20 0.35

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
SCHEMBL23071799 0.85 NMT2 (0.45) CASP1NMT2NMT1CTSL
SCHEMBL23433104 0.84 PGA5 (0.34) HDAC1HDAC6PGA5
SCHEMBL23071834 0.84 NMT2 (0.42) CPB2CASP1NMT2NMT1CTSL
SCHEMBL23071999 0.83 HDAC1 (0.38) HDAC1HDAC6CASP1CTSL
SCHEMBL23433135 0.82 PGA5 (0.35) PGA5
SCHEMBL23071959 0.81 PGA5 (0.41) CASP1NMT2NMT1CTSLPGA5
SCHEMBL23433153 0.81 PGA5 (0.41) CASP1NMT2NMT1CTSLPGA5
SCHEMBL24380518 0.81 CTSS (0.37) HDAC1HDAC6CPB2CASP1NMT2
SCHEMBL23071837 0.80 FAAH (0.46) CASP1NMT2NMT1CTSL
SCHEMBL23071880 0.80 PGA5 (0.34) HDAC1HDAC6PGA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210163458-A1 NOVEL CRYPTOPHYCIN COMPOUNDS AND CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI SA (FR) 2021-06-03 US disclosed
US-10941139-B2 Cryptophycin compounds and conjugates, their preparation and their therapeutic use SANOFI (FR) 2021-03-09 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 (2 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-20210163458-A1 NOVEL CRYPTOPHYCIN COMPOUNDS AND CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE XPOT, HCCS, COIL HDAC1 3617/4885HDAC6 320/4885CPB2 1160/4885
US-10941139-B2 Cryptophycin compounds and conjugates, their preparation and their therapeutic use XPOT, COIL, HCCS HDAC1 3570/4885HDAC6 489/4885CPB2 795/4885

“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.