SCHEMBL2799756

SCHEMBL2799756

O=C(N[C@H]1CCCCCC=C[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](Oc3nc4ncccc4c4ccccc34)CN2C1=O)c1ccncn1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.41
▸ CYP3A4 P08684 2/20 0.37
▸ ADRB3 P13945 1/20 0.37
▸ ADRA2B P18089 1/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ CTSS P25774 1/20 0.36

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
SCHEMBL2799755 1.00 CTSB (0.41) CTSBCYP3A4ADRB3ADRA2BADRA2C
SCHEMBL2796910 0.95 CTSB (0.41) CTSBCYP3A4ADRB3ADRA2BADRA2C
SCHEMBL2796912 0.95 CTSB (0.41) CTSBCYP3A4ADRB3ADRA2BADRA2C
SCHEMBL3072556 0.94 CTSB (0.44) CTSBCYP3A4ADRB3ADRA2BADRA2C
SCHEMBL3072565 0.94 CTSB (0.44) CTSBCYP3A4ADRB3ADRA2BADRA2C
SCHEMBL11888722 0.93 CTSB (0.41) CTSBCYP3A4ADRB3ADRA2BADRA2C
SCHEMBL7902222 0.93 CTSB (0.41) CTSBCYP3A4ADRB3ADRA2BADRA2C
SCHEMBL11888714 0.91 CTSB (0.43) CTSBCYP3A4ADRB3ADRA2BADRA2C
SCHEMBL11888713 0.91 CTSB (0.43) CTSBCYP3A4ADRB3ADRA2BADRA2C
SCHEMBL2798857 0.91 CTSB (0.41) CTSBCYP3A4ADRB3ADRA2BADRA2C

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-8232246-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-07-31 — — US claimed
US-8232246-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-07-31 — — US disclosed
US-20100168384-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-07-01 — — 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-20100168384-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS CTSB 275/4885CYP3A4 2043/4885ADRB3 4133/4885

“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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