SCHEMBL4099158

SCHEMBL4099158

Cc1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.68
POLB P06746 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
HTT P42858 2/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
ALDH1A1 P00352 1/20 0.66
LMNA P02545 1/20 0.66
HPGD P15428 1/20 0.66
TSHR P16473 1/20 0.66
FABP4 P15090 2/20 0.65
PPARG P37231 1/20 0.57
PPARD Q03181 1/20 0.57
PPARA Q07869 1/20 0.57
MAPT P10636 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
RAPGEF4 Q8WZA2 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
BRD4 O60885 1/20 0.53
CYP3A4 P08684 1/20 0.53

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
SCHEMBL1894102 0.90 HTR6 (0.61) HTR6POLBL3MBTL1HTTMEN1
SCHEMBL429712 0.88 HTR6 (0.68) HTR6POLBL3MBTL1HTTMEN1
SCHEMBL29829793 0.88 HTR6 (0.68) HTR6POLBL3MBTL1HTTMEN1
SCHEMBL2928254 0.82 HTR6 (0.65) HTR6POLBL3MBTL1HTTMEN1
SCHEMBL2510832 0.81 HTR6 (0.68) HTR6POLBL3MBTL1HTTMEN1
SCHEMBL428128 0.81 HTR6 (0.68) HTR6POLBL3MBTL1HTTMEN1
SCHEMBL3331751 0.81 HTR6 (0.68) HTR6POLBL3MBTL1HTTMEN1
SCHEMBL3526978 0.81 HTR6 (0.68) HTR6POLBL3MBTL1HTTMEN1
SCHEMBL1996380 0.81 HTR6 (0.68) HTR6POLBL3MBTL1HTTMEN1
SCHEMBL34460046 0.81 HTR6 (0.68) HTR6POLBL3MBTL1HTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254864-B1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2014-05-14 EP disclosed
CN-102015640-A Substituted 4-aminocyclohexane derivatives for the treatment of pain GRUENENTHAL GMBH 2011-04-13 CN disclosed
US-20090215725-A1 Substituted 4-aminocyclohexane derivatives GRUNENTHAL GMBH (DE) 2009-08-27 US disclosed
EP-1045833-B1 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER (US) 2005-11-02 EP disclosed
US-20030158216-A1 2-acyl indole derivatives and their use as antitumor agents BAXTER ONCOLOGY GMBH 2003-08-21 US disclosed
US-6608070-B1 Useful for treatment of medical condition in which prostaglandins are implicated as pathogens NAKAO KAZUNARI (JP) 2003-08-19 US disclosed
US-20020091124-A1 2-acyl indole derivatives and their use as antitumor agents BECKERS THOMAS (DE) 2002-07-11 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-20090215725-A1 Substituted 4-aminocyclohexane derivatives OPRL1, OPRD1, OPRK1 HTR6 305/4885POLB 2871/4885L3MBTL1 4381/4885
US-20030158216-A1 2-acyl indole derivatives and their use as antitumor agents IDO1, IDO2, INMT HTR6 563/4885POLB 3573/4885L3MBTL1 3305/4885
US-20020091124-A1 2-acyl indole derivatives and their use as antitumor agents IDO1, IDO2, INMT HTR6 563/4885POLB 3573/4885L3MBTL1 3305/4885

“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.