SCHEMBL172187

SCHEMBL172187

CCN(CC)C1CCN(C(=O)Cn2c(-c3ccc(Cl)cc3)c(C3CCCCC3)c3ccc(C(=O)O)cc32)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.43
MMP12 P39900 1/20 0.43
CBX7 O95931 2/20 0.41
CDYL2 Q8N8U2 2/20 0.41
CDYL Q9Y232 2/20 0.41
CDY1; CDY1B Q9Y6F8 1/20 0.41
TACR1 P25103 5/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
ENPP2 Q13822 1/20 0.34
ACKR3 P25106 1/20 0.34
P2RY14 Q15391 1/20 0.34
MCHR1 Q99705 2/20 0.34
NR1H4 Q96RI1 1/20 0.34

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
Hydrochloric Acid SCHEMBL1071086 0.99 PRKCA (0.42) PRKCAMMP12CBX7CDYL2CDYL
SCHEMBL5442324 0.91 PRKCA (0.42) PRKCAMMP12CBX7CDYL2CDYL
SCHEMBL5436725 0.86 CYP3A4 (0.40) PRKCAMMP12TACR1CYP3A4CYP2C19
SCHEMBL5452200 0.86 EGFR (0.43) PRKCAMMP12TACR1CYP3A4CYP2C19
SCHEMBL5439087 0.85 TACR1 (0.45) PRKCAMMP12TACR1CYP3A4CYP2C19
SCHEMBL5446231 0.85 KMT2A (0.42) PRKCAMMP12TACR1CYP3A4CYP2C19
SCHEMBL5433925 0.82 PRKCA (0.44) PRKCAMMP12CYP3A4CYP2C19NR1H4
SCHEMBL5438993 0.81 TACR1 (0.40) PRKCAMMP12TACR1CYP3A4CYP2C19
SCHEMBL5454107 0.80 PRKCA (0.42) PRKCAMMP12CDYLCDY1; CDY1BMCHR1
SCHEMBL5223193 0.80 PRKCA (0.37) PRKCAMMP12CBX7CDYL2CDYL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2101173-A1 In vitro method to determine whether a drug candidate active against a target protein is active against a variant of said protein Vivalis (FR) 2009-09-16 EP claimed
WO-2008127613-A1 NEW PHARMACEUTICAL COMPOSITIONS SCYNEXIS, INC. (US) 2008-10-23 WO 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 claimed
US-20120295843-A1 COMBINATION THERAPY FOR THE TREATMENT OF HCV INFECTION VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-22 US disclosed
US-20120295843-A1 COMBINATION THERAPY FOR THE TREATMENT OF HCV INFECTION VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-22 US disclosed
EP-2494991-A1 Combination therapy for the treatment of HCV infection VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-05 EP disclosed
US-8258116-B2 Combination therapy for the treatment of HCV infection VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-04 US disclosed
US-8258116-B2 Combination therapy for the treatment of HCV infection VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-04 US disclosed
EP-2142215-B1 COMBINATION THERAPY FOR THE TREATMENT OF HCV INFECTION VERTEX PHARMA (US) 2012-03-07 EP disclosed
US-20100172866-A1 Combination Therapy for the Treatment of HCV Infection VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-08 US disclosed
US-20100172866-A1 Combination Therapy for the Treatment of HCV Infection VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-08 US disclosed
WO-2008137126-A2 COMBINATION THERAPY FOR THE TREATMENT OF HCV INFECTION VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-13 WO disclosed
WO-2008127613-A1 NEW PHARMACEUTICAL COMPOSITIONS SCYNEXIS, INC. (US) 2008-10-23 WO disclosed
WO-2008127613-A1 NEW PHARMACEUTICAL COMPOSITIONS SCYNEXIS, INC. (US) 2008-10-23 WO disclosed
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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 PRKCA 3523/4885MMP12 4707/4885CBX7 3534/4885
US-20100172866-A1 Combination Therapy for the Treatment of HCV Infection SERPINB1, ENPEP, PREP PRKCA 2448/4885MMP12 125/4885CBX7 1322/4885
US-20120295843-A1 COMBINATION THERAPY FOR THE TREATMENT OF HCV INFECTION SERPINB1, ENPEP, PREP PRKCA 2448/4885MMP12 125/4885CBX7 1322/4885

“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.