SCHEMBL5013552

SCHEMBL5013552

O=C(O)c1sc2c(nc(-c3ccccc3)n2C2CCCCC2)c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.39
OPRK1 P41145 8/20 0.39
OGFRL1 Q5TC84 8/20 0.39
OPRD1 P41143 7/20 0.39
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
OPRL1 P41146 2/20 0.36

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
SCHEMBL5015627 0.88 GAA (0.40) OPRM1OPRK1OGFRL1OPRD1GAA
SCHEMBL5013555 0.78 SMN1; SMN2 (0.41) CYP2C9CYP2C19SMN1; SMN2KDM4E
SCHEMBL5014017 0.75 HDAC1 (0.43) OPRM1OPRK1OGFRL1OPRD1GAA
SCHEMBL5012191 0.71 HDAC1 (0.43) OPRM1OPRK1OGFRL1OPRD1GAA
SCHEMBL5014189 0.67 GAA (0.44) OPRM1OPRK1OGFRL1OPRD1GAA
SCHEMBL4739120 0.66 MAPT (0.49) OPRM1OPRK1OGFRL1OPRD1GAA
SCHEMBL4294427 0.65 OGFRL1 (0.48) OPRM1OPRK1OGFRL1OPRD1GAA
SCHEMBL5015628 0.65 SMN1; SMN2 (0.44) ALOX15CYP2C9CYP2C19SMN1; SMN2KDM4E
SCHEMBL27574019 0.65 L3MBTL1 (0.69) OPRM1OPRK1OGFRL1OPRD1GAA
SCHEMBL14382666 0.65 L3MBTL1 (0.70) OPRM1OPRK1OGFRL1OPRD1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080249146-A1 Imidazole and Thioazole Derivatives as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-10-09 US claimed
US-20080255038-A1 3-[(R)-2-(N,N-dimethylamino)ethylthio-Sar]-4-(gamma-hydroxymethylleucine)cyclosporin, for example, and pharmaceutical compositions prepared from the same, in combination with one or more NS5B polymerase inhibitors; use in treatment of hepatitis C virus; avoids need to use interferon or ribavirin SCYNEXIS, INC. 2008-10-16 US disclosed
US-20080249146-A1 Imidazole and Thioazole Derivatives as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-10-09 US disclosed
US-20080249146-A1 Imidazole and Thioazole Derivatives as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-10-09 US disclosed
US-20080249146-A1 Imidazole and Thioazole Derivatives as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-10-09 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-20080255038-A1 3-[(R)-2-(N,N-dimethylamino)ethylthio-Sar]-4-(gamma-hydroxymethylleucine)cyclosporin, for example, and pharmaceutical compositions prepared from the same, in combination with one or more NS5B polymerase inhibitors; use in treatment of hepatitis C virus; avoids need to use interferon or ribavirin NSUN2, TPMT, EIF5B OPRM1 1771/4885OPRK1 2126/4885OGFRL1 2620/4885
US-20080249146-A1 Imidazole and Thioazole Derivatives as Antiviral Agents IRF3, HAVCR2, ZC3HAV1 OPRM1 3014/4885OPRK1 2083/4885OGFRL1 2874/4885

“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.