SCHEMBL2238947

SCHEMBL2238947

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

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.40
▸ CTSS P25774 1/20 0.37
▸ CYP3A4 P08684 2/20 0.35
▸ ADRB3 P13945 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35

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
SCHEMBL13059576 0.91 CTSB (0.41) CTSBCTSSCYP3A4ADRB3ADRA2B
SCHEMBL11983928 0.91 CTSB (0.41) CTSBCTSSCYP3A4ADRB3ADRA2B
SCHEMBL6384336 0.91 CTSB (0.41) CTSBCTSSCYP3A4ADRB3ADRA2B
SCHEMBL8202772 0.91 CTSB (0.41) CTSBCTSSCYP3A4ADRB3ADRA2B
SCHEMBL11976235 0.91 CTSB (0.42) CTSBCTSSCYP3A4ADRB3ADRA2B
SCHEMBL13924635 0.90 CTSB (0.41) CTSBCTSSCYP3A4ADRB3ADRA2B
SCHEMBL13082706 0.90 CTSB (0.39) CTSBCTSSCYP3A4ADRB3ADRA2B
SCHEMBL11976262 0.90 CTSB (0.39) CTSBCTSSCYP3A4ADRB3ADRA2B
SCHEMBL11976261 0.90 CTSB (0.39) CTSBCTSSCYP3A4ADRB3ADRA2B
SCHEMBL3432919 0.90 CTSB (0.41) CTSBCTSSCYP3A4ADRB3ADRA2B

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
US-8003604-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-23 — — US disclosed
US-8003604-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-23 — — US disclosed
US-8003604-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-23 — — US disclosed
US-20080159982-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-07-03 — — US disclosed
US-20080159982-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-07-03 — — US disclosed
WO-2008064057-A1 MACROCYCLIC PEPTIDES AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-29 — — WO 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 703/4885CYP3A4 1999/4885

“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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