SCHEMBL13630519

SCHEMBL13630519

N[C@H]1CCCCC/C=C\C2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](Oc3nccc4cc(CO)ccc34)CN2C1=O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.45
▸ CTSB P07858 1/20 0.43
▸ CTSS P25774 1/20 0.40
▸ ADRB3 P13945 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38

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
SCHEMBL13617081 0.91 CTSB (0.51) CYP3A4CTSBCTSSADRB3ADRA2B
SCHEMBL6025399 0.91 CTSB (0.44) CYP3A4CTSBCTSSADRB3ADRA2B
SCHEMBL14586235 0.91 CTSB (0.44) CYP3A4CTSBCTSSADRB3ADRA2B
SCHEMBL8300375 0.89 CYP3A4 (0.51) CYP3A4CTSBCTSSADRB3ADRA2B
Hydrochloric Acid SCHEMBL2799014 0.83 CTSB (0.43) CYP3A4CTSBCTSSADRB3ADRA2B
Hydrochloric Acid SCHEMBL2799024 0.83 CTSB (0.43) CYP3A4CTSBCTSSADRB3ADRA2B
SCHEMBL13617085 0.83 CTSB (0.49) CYP3A4CTSBCTSSADRB3ADRA2B
Hydrochloric Acid SCHEMBL3067452 0.83 CTSB (0.47) CYP3A4CTSBCTSSADRB3ADRA2B
Hydrochloric Acid SCHEMBL3067459 0.83 CTSB (0.47) CYP3A4CTSBCTSSADRB3ADRA2B
SCHEMBL7877142 0.83 CTSB (0.43) CYP3A4CTSBCTSSADRB3ADRA2B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090285773-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-11-19 — — 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-20090285773-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL CYP3A4 379/4885CTSB 536/4885CTSS 830/4885

“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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