SCHEMBL2705151

SCHEMBL2705151

CCC(CC)CC1(C(=O)Nc2ccccc2SC)CCCCC1

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CETP P11597 16/20 0.81
MME P08473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL29352194 0.93 CETP (0.81) CETP
SCHEMBL529503 0.93 CETP (0.81) CETP
SCHEMBL14273089 0.92 CETP (0.76) CETPMME
SCHEMBL14643008 0.92 CETP (0.79) CETPMME
SCHEMBL18011036 0.91 CETP (0.78) CETPMME
SCHEMBL2701570 0.91 CETP (0.78) CETPMME
SCHEMBL2703171 0.90 CETP (0.77) CETPMME
SCHEMBL528587 0.90 CETP (1.00) CETPMME
SCHEMBL23977331 0.89 CETP (0.74) CETPMME
SCHEMBL16844336 0.89 CETP (0.82) CETPMME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190224147-A1 CETP MODULATOR FOR USE IN THE TREATEMENT OF EYE DISEASE HOFFMANN-LA ROCHE INC. (US) 2019-07-25 US disclosed
CN-106559998-A Genetic markers for predicting responsiveness to therapy with HDL-raising or HDL mimicking agents 豪夫迈·罗氏有限公司 2017-04-05 CN disclosed
US-20160287537-A1 CETP MODULATOR FOR USE IN THE TREATEMENT OF EYE DISEASE HOFFMANN-LA ROCHE INC. (US) 2016-10-06 US disclosed
EP-2448918-B1 PREPARATION AND CRYSTALLISATION OF S-[2-[1-(2-ETHYLBUTYL)CYCLOHEXYLCARBONYLAMINO]-PHENYL]-2-METHYLTHIOPROPIONATE HOFFMANN LA ROCHE (CH) 2016-08-03 EP disclosed
WO-2015091410-A1 CETP MODULATOR FOR USE IN THE TREATMENT OF EYE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2015-06-25 WO disclosed
US-20140243414-A1 PHARMACEUTICAL COMPOSITIONS OF CETP INHIBITORS JAPAN TOBACCO INC. (JP) 2014-08-28 US disclosed
US-20140243414-A1 PHARMACEUTICAL COMPOSITIONS OF CETP INHIBITORS JAPAN TOBACCO INC. (JP) 2014-08-28 US disclosed
US-8765989-B2 Process HOFFMANN - LA ROCHE INC. (US) 2014-07-01 US disclosed
US-20140121229-A1 COMBINATION COMPRISING S-[2-([[1-(2-ETHYLBUTYL)CYCLOHEXYL] CARBONYL]AMINO)PHENYL] 2-METHYLPROPANETHIOATE AND AN HMG COA REDUCTASE INHIBITOR JAPAN TOBACCO INC. (JP) 2014-05-01 US disclosed
US-20140121229-A1 COMBINATION COMPRISING S-[2-([[1-(2-ETHYLBUTYL)CYCLOHEXYL] CARBONYL]AMINO)PHENYL] 2-METHYLPROPANETHIOATE AND AN HMG COA REDUCTASE INHIBITOR JAPAN TOBACCO INC. (JP) 2014-05-01 US disclosed
US-20130338391-A1 NOVEL PROCESS HOFFMANN-LA ROCHE INC. (US) 2013-12-19 US disclosed
US-20130079541-A1 NOVEL PROCESS HOFFMANN-LA ROCHE INC. (US) 2013-03-28 US disclosed
EP-2448918-A2 PREPARATION AND CRYSTALLISATION OF S-[2-[1-(2-ETHYLBUTYL)CYCLOHEXYLCARBONYLAMINO]-PHENYL]-2-METHYLTHIOPROPIONATE F. Hoffmann-La Roche AG (CH) 2012-05-09 EP disclosed
US-20080045599-A1 Method for Increasing the Bioavailability of the Active Form of S-[2-([[1-(2-Ethylbutyl)Cyclohexyl]Carbonyl] Amino)Phenyl] 2-Methylpropanethioate JAPAN TOBACCO INC. (JP) 2008-02-21 US disclosed
US-7276536-B2 Method for increasing the bioavailability of the active form of S-[2-([[1-(2-ethylbutyl)cyclohexyl]carbonyl]amino) phenyl] 2-methylpropanethioate JAPAN TOBACCO INC. (JP) 2007-10-02 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 (7 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-20080045599-A1 Method for Increasing the Bioavailability of the Active Form of S-[2-([[1-(2-Ethylbutyl)Cyclohexyl]Carbonyl] Amino)Phenyl] 2-Methylpropanethioate SLC7A1, SLC10A2, SLCO2B1 CETP 90/4885MME 1654/4885HSD17B10 1007/4885
US-20140121229-A1 COMBINATION COMPRISING S-[2-([[1-(2-ETHYLBUTYL)CYCLOHEXYL] CARBONYL]AMINO)PHENYL] 2-METHYLPROPANETHIOATE AND AN HMG COA REDUCTASE INHIBITOR HMGCR, COASY, PCSK9 CETP 8/4885MME 2094/4885HSD17B10 33/4885
US-20130079541-A1 NOVEL PROCESS CYP3A4, CYP4B1, CYP11B2 CETP 448/4885MME 579/4885HSD17B10 566/4885
US-20160287537-A1 CETP MODULATOR FOR USE IN THE TREATEMENT OF EYE DISEASE CETP, MTTP, APOB CETP 1/4885MME 568/4885HSD17B10 1255/4885
US-20130338391-A1 NOVEL PROCESS CYP3A4, CYP4B1, CYP11B2 CETP 448/4885MME 579/4885HSD17B10 566/4885
US-20140243414-A1 PHARMACEUTICAL COMPOSITIONS OF CETP INHIBITORS CETP, NPC1L1, LCAT CETP 1/4885MME 527/4885HSD17B10 245/4885
US-20190224147-A1 CETP MODULATOR FOR USE IN THE TREATEMENT OF EYE DISEASE CETP, MTTP, APOB CETP 1/4885MME 441/4885HSD17B10 1261/4885

“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.