SCHEMBL16408060

SCHEMBL16408060

CC(C)CC(=O)N[C@H](c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H](NC(=O)CC(C)C)C(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 2/20 0.47
▸ MMP3 P08254 2/20 0.47
▸ MMP7 P09237 2/20 0.47
▸ PTPN1 P18031 2/20 0.43
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL19184987 1.00 MMP1 (0.47) MMP1MMP3MMP7PTPN1MAPT
SCHEMBL15116525 0.81 CYP3A4 (0.57) —
SCHEMBL19388323 0.81 PRCP (0.41) MMP1MMP3MMP7
SCHEMBL15116536 0.81 PRCP (0.41) MMP1MMP3MMP7
SCHEMBL15111977 0.79 MMP1 (0.39) MMP1MMP3MMP7
SCHEMBL13758689 0.79 SSTR3 (0.50) MMP1MMP3MMP7
SCHEMBL13758829 0.79 SSTR3 (0.50) MMP1MMP3MMP7
SCHEMBL13294146 0.79 SSTR3 (0.50) MMP1MMP3MMP7
SCHEMBL18438936 0.78 MMP1 (0.49) MMP1MMP3MMP7MAPT
SCHEMBL18438938 0.78 MMP1 (0.49) MMP1MMP3MMP7MAPT

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-9775831-B2 Combinations comprising biphenyl derivatives for use in the treatment of HCV BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 — — US disclosed
US-9717712-B2 Combinations comprising tricyclohexadecahexaene derivatives for use in the treatment of hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-01 — — US disclosed
US-20160166545-A1 COMBINATIONS COMPRISING BIPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF HCV BRISTOL MYERS SQUIBB CO (US) 2016-06-16 — — US disclosed
US-20160166547-A1 Combinations Comprising Tricyclohexadecahexaene Derivatives for Use in the Treatment of Hepatitis C Virus BRISTOL MYERS SQUIBB CO (US) 2016-06-16 — — US disclosed
WO-2015026454-A1 COMBINATIONS COMPRISING TRICYCLOHEXADECAHEXAENE DERIVATIVES FOR USE IN THE TREATMENT OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-02-26 — — WO disclosed
WO-2015009744-A1 COMBINATIONS COMPRISING BIPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF HCV BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-22 — — 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 (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-20160166545-A1 COMBINATIONS COMPRISING BIPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF HCV HAVCR2, EIF2AK2, MAVS MMP1 4628/4885MMP3 4053/4885MMP7 2858/4885
US-20160166547-A1 Combinations Comprising Tricyclohexadecahexaene Derivatives for Use in the Treatment of Hepatitis C Virus HAVCR2, HCCS, MAVS MMP1 4739/4885MMP3 4074/4885MMP7 2984/4885

“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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