SCHEMBL403860

SCHEMBL403860

CCC1(C(=O)NC[C@@H](N)C(=O)NO)C=CC(c2ccccc2)=CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 4/20 0.35
CSK P41240 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CTSH P09668 1/20 0.33
CYP2D6 P10635 1/20 0.33
CTSK P43235 1/20 0.33
CTSC P53634 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
MMP8 P22894 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
SCHEMBL4876249 0.84 ANPEP (0.39) ANPEPHDAC3HDAC4HDAC1HDAC2
SCHEMBL4868358 0.81 ANPEP (0.36) ANPEPHDAC3HDAC4HDAC1HDAC2
SCHEMBL404157 0.79 MMP1 (0.36) ANPEPHDAC3HDAC4HDAC1HDAC2
SCHEMBL4876777 0.78 ANPEP (0.37) ANPEPHDAC3HDAC4HDAC1HDAC2
SCHEMBL2157193 0.75 SMN1; SMN2 (0.33) CYP1A2
SCHEMBL27805645 0.75 KDM4E (0.30)
SCHEMBL5650452 0.74 ALDH1A1 (0.42) CYP3A4
SCHEMBL27734190 0.74 MMP9 (0.37) HDAC4MMP8
SCHEMBL403198 0.73 CHEK1 (0.32)
SCHEMBL4878757 0.72 ITGB1 (0.36)

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-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 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-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS ANPEP 744/4885CSK 2473/4885CYP1A2 277/4885

“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.