SCHEMBL3432916

SCHEMBL3432916

O=C1C[C@H]2C(=O)N[C@]3(C(=O)NS(=O)(=O)C4CC4)C[C@H]3/C=C\CCCCC[C@H](NC(=O)O)C(=O)N2C1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.41
▸ CTSS P25774 1/20 0.38
▸ ADRB3 P13945 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ CYP3A4 P08684 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
SCHEMBL3432919 1.00 CTSB (0.41) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL16242466 0.90 CTSB (0.41) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL16242467 0.90 CTSB (0.41) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL13896373 0.90 CTSB (0.41) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL16242468 0.90 CTSB (0.41) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL2238947 0.90 CTSB (0.40) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL3064517 0.87 CTSB (0.40) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL3064512 0.87 CTSB (0.40) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL3973075 0.86 CTSB (0.40) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL9909190 0.86 CTSB (0.40) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2089020-B1 MACROCYCLIC PEPTIDES AS HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2010-12-22 — — EP disclosed
US-20080159982-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-07-03 — — 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-20080159982-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, VIP CTSB 268/4885CTSS 703/4885ADRB3 4258/4885

“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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