SCHEMBL23071878

SCHEMBL23071878

CC(C)[C@H](NC(=O)CCCCN=[N+]=[N-])C(=O)N[C@@H](C)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 2/20 0.38
▸ HDAC8 Q9BY41 5/20 0.34
▸ HDAC2 Q92769 3/20 0.34
▸ HDAC3 O15379 3/20 0.34
▸ HDAC4 P56524 2/20 0.34
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC7 Q8WUI4 2/20 0.34
▸ HDAC10 Q969S8 2/20 0.34
▸ HDAC11 Q96DB2 2/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.34
▸ HDAC9 Q9UKV0 2/20 0.34
▸ HDAC5 Q9UQL6 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ CTSD P07339 1/20 0.33
▸ NCOR2 Q9Y618 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ENPP2 Q13822 1/20 0.33
▸ DGAT2 Q96PD7 1/20 0.33
▸ FURIN P09958 2/20 0.33
▸ CNR1 P21554 1/20 0.33

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
SCHEMBL27143504 0.99 CASP1 (0.38) CASP1HDAC8HDAC2HDAC3HDAC4
SCHEMBL23798630 0.99 CASP1 (0.38) CASP1HDAC8HDAC2HDAC3HDAC4
SCHEMBL23799026 0.90 CASP1 (0.37) CASP1HDAC8HDAC2HDAC3HDAC4
SCHEMBL23798883 0.90 CASP1 (0.37) CASP1HDAC8HDAC2HDAC3HDAC4
SCHEMBL27150946 0.90 CASP1 (0.37) CASP1HDAC8HDAC2HDAC3HDAC4
SCHEMBL27139639 0.90 CASP1 (0.37) CASP1HDAC8HDAC2HDAC3HDAC4
SCHEMBL22690075 0.87 CASP1 (0.35) CASP1HDAC8HDAC2HTTFURIN
SCHEMBL22690077 0.87 CASP1 (0.35) CASP1HDAC8HDAC2HTTFURIN
SCHEMBL23071953 0.87 CASP1 (0.35) CASP1HDAC8HDAC2HTTFURIN
SCHEMBL23432982 0.85 HDAC8 (0.37) CASP1HDAC8HDAC2HDAC3HDAC1

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 CASP1 1688/4885HDAC8 1658/4885HDAC2 2541/4885
US-10941139-B2 Cryptophycin compounds and conjugates, their preparation and their therapeutic use XPOT, COIL, HCCS CASP1 1690/4885HDAC8 1827/4885HDAC2 2521/4885

“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.

Send feedback