SCHEMBL22901378

SCHEMBL22901378

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38
MMP14 P50281 1/20 0.38
ADAM8 P78325 1/20 0.38
ADAM17 P78536 1/20 0.38
SIRT2 Q8IXJ6 10/20 0.37
SIRT1 Q96EB6 10/20 0.37
C3AR1 Q16581 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SIRT3 Q9NTG7 4/20 0.35
SIRT5 Q9NXA8 3/20 0.35
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
NPY4R P50391 1/20 0.33
NPY5R Q15761 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
SCHEMBL23838548 0.86 SIRT1 (0.37) SIRT2SIRT1SIRT3
SCHEMBL14887424 0.78 SIRT2 (0.42) SIRT2SIRT1SMN1; SMN2SIRT3SIRT5
SCHEMBL17236057 0.78 SIRT2 (0.42) SIRT2SIRT1SMN1; SMN2SIRT3SIRT5
SCHEMBL16143151 0.78 SIRT2 (0.42) SIRT2SIRT1SMN1; SMN2SIRT3SIRT5
SCHEMBL24539700 0.77 C3AR1 (0.42) ADAM10MMP2MMP9MMP12MMP14
SCHEMBL22901422 0.77 ITGB1 (0.37) NPC1RAB9A
SCHEMBL24701258 0.77 C3AR1 (0.42) ADAM10MMP2MMP9MMP12MMP14
SCHEMBL16644125 0.76 SIRT5 (0.33) MMP2SIRT2SIRT1SIRT3SIRT5
SCHEMBL23347054 0.76 SIRT2 (0.45) SIRT2SIRT1SIRT3SIRT5
SCHEMBL19387331 0.76 SIRT2 (0.42) SIRT2SIRT1SMN1; SMN2SIRT3SIRT5

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 ADAM10 1685/4885MMP2 3070/4885MMP9 4036/4885

“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.