SCHEMBL8104821

SCHEMBL8104821

CC(C)(C)OC(=O)N[C@H]1CN(C2CC2)CCC/C=C\C2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.39
▸ CYP3A4 P08684 2/20 0.37
▸ CTSS P25774 1/20 0.35
▸ ADRB3 P13945 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ ADRA2C P18825 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
SCHEMBL8209244 1.00 CTSB (0.39) CTSBCYP3A4CTSSADRB3ADRA2B
SCHEMBL17399729 0.93 CTSB (0.39) CTSBCYP3A4CTSSADRB3ADRA2B
SCHEMBL12349824 0.91 CTSB (0.40) CTSBCYP3A4CTSSADRB3ADRA2B
SCHEMBL12844453 0.90 CTSB (0.39) CTSBCYP3A4CTSSADRB3ADRA2B
SCHEMBL2235963 0.90 CTSB (0.39) CTSBCYP3A4CTSSADRB3ADRA2B
SCHEMBL3811003 0.90 CTSB (0.39) CTSBCYP3A4CTSSADRB3ADRA2B
SCHEMBL7874837 0.90 CTSB (0.39) CTSBCYP3A4CTSSADRB3ADRA2B
SCHEMBL2235968 0.90 CTSB (0.39) CTSBCYP3A4CTSSADRB3ADRA2B
SCHEMBL3967124 0.90 CTSB (0.39) CTSBCYP3A4CTSSADRB3ADRA2B
SCHEMBL2632512 0.90 CTSB (0.39) CTSBCYP3A4CTSSADRB3ADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2089385-B1 INHIBITORS OF HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2016-01-06 — — EP disclosed
US-8343477-B2 Viricides; serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-01 — — US disclosed
US-20080107625-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 — — US disclosed
US-20080107624-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 — — US disclosed
US-20080107625-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 — — US disclosed
US-20080107624-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 — — 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 (2 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-20080107624-A1 Inhibitors of Hepatitis C Virus HAVCR2, MRPS23, HCCS CTSB 541/4885CYP3A4 1993/4885CTSS 694/4885
US-20080107625-A1 Inhibitors of Hepatitis C Virus HAVCR2, HCCS, VIP CTSB 426/4885CYP3A4 1719/4885CTSS 631/4885

“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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