SCHEMBL994865

SCHEMBL994865

O=C1NC2(C(=O)NS(=O)(=O)C3CC3)CC2/C=C/CCCCCNC(=O)N2CC(OC(=O)N3CCc4ccccc4C3)CC12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.40
▸ CTSS P25774 1/20 0.35
▸ CYP3A4 P08684 2/20 0.32
▸ ADRB3 P13945 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL8249391 1.00 CTSB (0.40) CTSBCTSSCYP3A4ADRB3ADRA2B
SCHEMBL995543 0.95 CTSB (0.41) CTSBCTSSCYP3A4ADRB3ADRA2B
SCHEMBL995545 0.95 CTSB (0.41) CTSBCTSSCYP3A4ADRB3ADRA2B
SCHEMBL8239469 0.95 CTSB (0.41) CTSBCTSSCYP3A4ADRB3ADRA2B
SCHEMBL8239468 0.90 CTSB (0.40) CTSBCTSSCYP3A4ADRB3ADRA2B
SCHEMBL995846 0.90 CTSB (0.40) CTSBCTSSCYP3A4ADRB3ADRA2B
SCHEMBL995844 0.90 CTSB (0.40) CTSBCTSSCYP3A4ADRB3ADRA2B
SCHEMBL13896371 0.89 CTSB (0.41) CTSBCTSSCYP3A4ADRB3ADRA2B
SCHEMBL8221523 0.89 CTSB (0.41) CTSBCTSSCYP3A4ADRB3ADRA2B
SCHEMBL2214687 0.89 CTSB (0.41) CTSBCTSSCYP3A4ADRB3ADRA2B

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-9023808-B2 Macrocyclic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2015-05-05 — — US disclosed
EP-1919899-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARM LTD (IE) 2011-01-19 — — EP disclosed
US-20090247512-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2009-10-01 — — 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-20090247512-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS CYP2A7, CYP2B6, HCCS CTSB 2563/4885CTSS 1100/4885CYP3A4 22/4885

“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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