SCHEMBL2839848

SCHEMBL2839848

CCOC(=O)C1CCC=CCCCCN(C)C(=O)C2CC(Oc3nc(-c4cccc(F)c4)nc4c(C)c(OC)ccc34)CC2C(=O)N1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.40
▸ CTSB P07858 1/20 0.38
▸ F2 P00734 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ HCRTR1 O43613 1/20 0.31
▸ HCRTR2 O43614 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MCHR1 Q99705 2/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ PDE4B Q07343 2/20 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
SCHEMBL3554588 0.93 CTSB (0.41) CTSSCTSBMAPTALDH1A1HPGD
SCHEMBL2837887 0.93 CTSS (0.41) CTSSCTSBHCRTR1HCRTR2FFAR4
SCHEMBL2837606 0.91 CTSS (0.40) CTSSCTSBMAPTALDH1A1TSHR
SCHEMBL3552360 0.88 CTSS (0.31) CTSSF2F10HCRTR1HCRTR2
SCHEMBL2840101 0.87 CTSS (0.42) CTSSCTSBFFAR4
SCHEMBL2839736 0.86 CTSB (0.43) CTSSCTSBPDE4B
SCHEMBL13501975 0.84 CTSS (0.51) CTSSCTSBHCRTR1HCRTR2TP53
SCHEMBL2839847 0.84 CTSS (0.51) CTSSCTSBHCRTR1HCRTR2TP53
SCHEMBL2839851 0.84 CTSS (0.51) CTSSCTSBHCRTR1HCRTR2TP53
SCHEMBL2834384 0.83 CTSS (0.41) CTSSCTSBPDE4B

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 3 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
EP-1912981-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARM LTD (IE) 2010-01-20 — — EP 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 CTSS 624/4885CTSB 1213/4885F2 962/4885

“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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