SCHEMBL22901346

SCHEMBL22901346

C/C(=C\[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N(C)C)C(C)(C)c1ccccc1)C(C)(C)C)C(C)C)C(=O)NOCc1ccc(N)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 1/20 0.37
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
ITGB3 P05106 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGAV P06756 1/20 0.32
ITGA5 P08648 1/20 0.32
MMP2 P08253 10/20 0.31
MMP3 P08254 7/20 0.31
MMP1 P03956 1/20 0.31
MMP9 P14780 1/20 0.31

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
SCHEMBL19522596 0.83 TUBB1 (0.41) TUBB1MMP2MMP3MMP1
SCHEMBL16730694 0.83 TUBB1 (0.41) TUBB1MMP2MMP3MMP1
SCHEMBL20015459 0.83 TUBB1 (0.41) TUBB1MMP2MMP3MMP1
SCHEMBL16644131 0.82 TUBB1 (0.49) TUBB1MMP2MMP3MMP1STAT6
SCHEMBL16730811 0.81 CASP1 (0.33) TUBB1MMP2MMP3
SCHEMBL19522600 0.81 CASP1 (0.33) TUBB1MMP2MMP3
SCHEMBL16644125 0.80 SIRT5 (0.33) MMP2MMP3
SCHEMBL20015457 0.78 NPC1 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21229339 0.77 NPC1 (0.34)
SCHEMBL21229506 0.75 MEN1 (0.34) ITGB1CTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210017274-A1 Drug-Conjugates With a Targeting Molecule and Two Different Drugs SORRENTO THERAPEUTICS, INC. (US) 2021-01-21 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 (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-20210017274-A1 Drug-Conjugates With a Targeting Molecule and Two Different Drugs ERBB2, ABCG2, DYNLL2 TUBB1 158/4885HDAC3 2425/4885HDAC4 3188/4885

“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.