SCHEMBL2837880

SCHEMBL2837880

COc1ccc2c(OC3CC4C(=O)NC5(C(=O)O)CC5/C=C/CCCCN(C)C(=O)C4C3)nc(-c3cccc(F)c3)nc2c1C

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.53
▸ CTSS P25774 1/20 0.53
▸ ADRB3 P13945 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32

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
SCHEMBL2837891 1.00 CTSB (0.53) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL8249213 1.00 CTSB (0.53) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL2837724 0.95 CTSS (0.52) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL8248011 0.95 CTSS (0.54) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL2840099 0.95 CTSS (0.54) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL2840103 0.95 CTSS (0.54) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL2839743 0.94 CTSB (0.56) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL2839730 0.94 CTSB (0.56) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL8243600 0.94 CTSB (0.56) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL13501971 0.93 CTSS (0.53) CTSBCTSSADRB3ADRA2BADRA2C

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 CTSB 1213/4885CTSS 624/4885ADRB3 944/4885

“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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