SCHEMBL14730819

SCHEMBL14730819

CC1(C)CC(=O)c2c1c1ccccc1n2S(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 11/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ AGTR1 P30556 2/20 0.43
▸ THRB P10828 1/20 0.43
▸ AVPR1A P37288 1/20 0.42
▸ CXCL8 P10145 1/20 0.39
▸ NOD1 Q9Y239 1/20 0.39
▸ SRC P12931 1/20 0.38
▸ HTR1A P08908 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ HTR1D P28221 1/20 0.37
▸ HTR1B P28222 1/20 0.37
▸ HTR1F P30939 1/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ L3MBTL1 Q9Y468 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
SCHEMBL7192965 0.75 AGTR1 (0.55) HTR6AGTR1CXCL8NOD1SRC
SCHEMBL12093313 0.71 HTR6 (0.70) HTR6ALDH1A1CXCL8NOD1SRC
SCHEMBL13624636 0.70 TP53 (0.56) HTR6AGTR1
SCHEMBL19605706 0.66 HTR6 (0.50) HTR6AGTR1AVPR1ACXCL8NOD1
SCHEMBL3557485 0.66 AGTR1 (0.58) HTR6AGTR1CXCL8NOD1SRC
SCHEMBL27885308 0.66 ALKBH5 (0.51) HTR6ALDH1A1AGTR1SRC
SCHEMBL27885302 0.66 HTR6 (0.50) HTR6AGTR1SRCHTR1ADRD2
SCHEMBL20762057 0.65 BRD4 (0.49) HTR6AGTR1CXCL8NOD1SRC
SCHEMBL30644289 0.65 HTR6 (0.46) HTR6AGTR1AVPR1ASRC
SCHEMBL597369 0.65 HTR6 (0.46) HTR6AGTR1AVPR1ASRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340548-B2 Substituted pyrazolo[3,4-a]carbazoles as hepatitis C inhibitors Boehringer Ingehleim International GmbH (DE) 2016-05-17 — — US disclosed
US-9340548-B2 Substituted pyrazolo[3,4-a]carbazoles as hepatitis C inhibitors Boehringer Ingehleim International GmbH (DE) 2016-05-17 — — US disclosed
US-9340539-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-17 — — US disclosed
US-9340539-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-17 — — US disclosed
US-20150291592-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-15 — — US disclosed
US-20150291592-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-15 — — US disclosed
US-20140343077-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-20 — — US disclosed
US-20140343077-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-20 — — US disclosed
WO-2013026163-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-28 — — WO disclosed
WO-2013026162-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-28 — — 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-20140343077-A1 HEPATITIS C INHIBITOR COMPOUNDS HCCS, C1R, HAVCR2 HTR6 2018/4885ALDH1A1 1605/4885AGTR1 108/4885
US-20150291592-A1 HEPATITIS C INHIBITOR COMPOUNDS HAVCR2, CD4, HAX1 HTR6 3755/4885ALDH1A1 773/4885AGTR1 244/4885

“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.

Send feedback