SCHEMBL3554588

SCHEMBL3554588

CCOC(=O)C1CCC=CCCCCN(C)C(=O)C2CC(Oc3nc(-c4ccccc4)nc4c(C)c(OC)ccc34)CC2C(=O)N1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.41
▸ CTSS P25774 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ PLA2G1B P04054 1/20 0.31
▸ ATG4B Q9Y4P1 1/20 0.31
▸ PDE4B Q07343 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL2837606 0.95 CTSS (0.40) CTSBCTSSKDM4EALDH1A1TSHR
SCHEMBL2839848 0.93 CTSS (0.40) CTSBCTSSALDH1A1TSHRMAPT
SCHEMBL2839736 0.93 CTSB (0.43) CTSBCTSSPDE4B
SCHEMBL2834384 0.89 CTSS (0.41) CTSBCTSSPDE4B
SCHEMBL2837887 0.87 CTSS (0.41) CTSBCTSSPDE4B
SCHEMBL2840101 0.86 CTSS (0.42) CTSBCTSS
SCHEMBL3554406 0.84 CTSS (0.43) CTSBCTSS
SCHEMBL8251148 0.83 CTSB (0.53) CTSBCTSS
SCHEMBL3554585 0.83 CTSB (0.53) CTSBCTSS
SCHEMBL3554590 0.83 CTSB (0.53) CTSBCTSS

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-7659245-B2 Macrocylic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD (IE) 2010-02-09 — — US disclosed
US-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-05-07 — — 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-20090118312-A1 Macrocylic Inhibitors of Hepatitis C Virus CBR1, HAVCR2, AOC1 CTSB 1213/4885CTSS 624/4885KDM4E 4584/4885

“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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