SCHEMBL4399871

SCHEMBL4399871

CCCCOC(=O)NN1C(=O)C2CC(Oc3cc(-c4ccccc4)nc4cc(OC)ccc34)C[N+]2C(=O)NCCCCCC=CCCC1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.40
▸ TACR3 P29371 5/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ P2RY12 Q9H244 3/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31
▸ PLA2G2A P14555 1/20 0.30

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
SCHEMBL4404759 0.99 CTSB (0.41) CTSBTACR3KDM4EALDH1A1SMN1; SMN2
SCHEMBL3040552 0.80 CTSB (0.43) CTSBTACR3KDM4EALDH1A1SMN1; SMN2
SCHEMBL3048826 0.79 CTSB (0.41) CTSBTACR3KDM4EALDH1A1SMN1; SMN2
SCHEMBL3277219 0.71 CTSB (0.42) CTSBTACR3KDM4EALDH1A1SMN1; SMN2
SCHEMBL3283641 0.71 CTSB (0.44) CTSBTACR3KDM4EALDH1A1SMN1; SMN2
SCHEMBL4399875 0.71 CTSB (0.48) CTSBTACR3KDM4EALDH1A1SMN1; SMN2
SCHEMBL4399866 0.71 CTSB (0.48) CTSBTACR3KDM4EALDH1A1SMN1; SMN2
SCHEMBL3276524 0.71 CTSB (0.42) CTSBTACR3KDM4EALDH1A1SMN1; SMN2
SCHEMBL4404757 0.70 CTSB (0.49) CTSBTACR3KDM4EALDH1A1SMN1; SMN2
SCHEMBL4404765 0.70 CTSB (0.49) CTSBTACR3KDM4EALDH1A1SMN1; SMN2

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-7608590-B2 HCV NS-3 serine protease inhibitors MEDIVIR AB (SE) 2009-10-27 — — US disclosed
US-20070161574-A1 Hcv ns-3 serine protease inhibitors MEDIVIR AB (SE) 2007-07-12 — — 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-20070161574-A1 Hcv ns-3 serine protease inhibitors PRSS1, HPN, SPINT2 CTSB 280/4885TACR3 3860/4885KDM4E 4405/4885

“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.

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