SCHEMBL992794

SCHEMBL992794

CCCCCCCCCCCCCc1n[nH]c(=S)n1-c1ccc2c(c1)OCO2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.61
KDM4E B2RXH2 9/20 0.52
ALDH1A1 P00352 9/20 0.52
HPGD P15428 8/20 0.52
GAA P10253 4/20 0.52
MEN1 O00255 1/20 0.51
ALOX12 P18054 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
APOBEC3G Q9HC16 1/20 0.46
BRD9 Q9H8M2 1/20 0.45
BRD7 Q9NPI1 1/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 2/20 0.44
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL993377 0.78 CETP (0.73) CETPKDM4EALDH1A1HPGDGAA
SCHEMBL993954 0.77 CETP (0.64) CETPKDM4EALDH1A1HPGDGAA
SCHEMBL992627 0.77 CETP (0.64) CETPKDM4EALDH1A1HPGDGAA
SCHEMBL16774633 0.76 CETP (1.00) CETPKDM4EALDH1A1HPGDGAA
SCHEMBL993228 0.76 CETP (0.74) CETPKDM4EALDH1A1HPGDGAA
SCHEMBL992675 0.75 CETP (0.73) CETPKDM4EALDH1A1HPGDGAA
SCHEMBL993611 0.75 CETP (0.73) CETPKDM4EALDH1A1HPGDGAA
SCHEMBL993486 0.75 CETP (0.72) CETPKDM4EALDH1A1HPGDGAA
SCHEMBL993375 0.75 CETP (0.72) CETPKDM4EALDH1A1HPGDGAA
SCHEMBL993229 0.74 CETP (0.71) CETPKDM4EALDH1A1HPGDGAA

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 89 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453544-A2 SELF-EMULSIFYING FORMULATIONS OF CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS Pfizer Products Inc. (US) 2004-09-08 EP claimed
US-20030022944-A1 Self-emulsifying formulations of cholesteryl ester transfer protein inhibitors PFIZER INC. 2003-01-30 US claimed
WO-2003000295-A2 SELF-EMULSIFYING FORMULATIONS OF CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS PFIZER PRODUCTS INC. (US) 2003-01-03 WO claimed
US-20020103225-A1 Pharmaceutical compositions of cholesteryl ester transfer protein inhibitors BEND RESEARCH INC. 2002-08-01 US claimed
US-20160374945-A1 PHARMACEUTICAL COMPOSITIONS OF DISPERSIONS OF DRUG AND NEUTRAL POLYMERS BEND RESEARCH, INC. (US) 2016-12-29 US disclosed
US-9468604-B2 Pharmaceutical compositions of dispersions of drug and neutral polymers BEND RESEARCH, INC. (US) 2016-10-18 US disclosed
EP-2258352-B1 PHARMACEUTICAL COMPOSITIONS OF CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS BEND RES INC (US) 2015-05-13 EP disclosed
US-20140210117-A1 PHARMACEUTICAL COMPOSITIONS OF DISPERSIONS OF DRUG AND NEUTRAL POLYMERS BEND RESEARCH, INC. (US) 2014-07-31 US disclosed
US-8703199-B2 Pharmaceutical compositions of adsorbates of amorphous drug BEND RESEARCH, INC. (US) 2014-04-22 US disclosed
US-8703196-B2 Pharmaceutical compositions of dispersions of amorphous drugs mixed with polymers BEND RESEARCH, INC. (US) 2014-04-22 US disclosed
US-8389006-B2 Pharmaceutical compositions of adsorbates of amorphous drug BEND RESEARCH, INC. (US) 2013-03-05 US disclosed
US-8389011-B2 Pharmaceutical compositions of cholesteryl ester transfer protein inhibitors BEND RESEARCH, INC. (US) 2013-03-05 US disclosed
US-20030022944-A1 Self-emulsifying formulations of cholesteryl ester transfer protein inhibitors PFIZER INC. 2003-01-30 US disclosed
WO-2003000235-A1 PHARMACEUTICAL COMPOSITIONS OF DISPERSIONS OF DRUGS AND NEUTRAL POLYMERS PFIZER PRODUCTS INC. (US) 2003-01-03 WO disclosed
WO-2003000294-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING A SOLID DISPERSION OF A POORLY-SOLUBLE DRUG IN A MATRIX AND A SOLUBILITY-ENHANCING POLYMER PFIZER PRODUCTS INC. (US) 2003-01-03 WO disclosed
WO-2003000292-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING LOW-SOLUBILITY AND/OR ACID-SENSITIVE DRUGS AND NEUTRALIZED ACIDIC POLYMERS PFIZER PRODUCTS INC. (US) 2003-01-03 WO disclosed
WO-2003000295-A2 SELF-EMULSIFYING FORMULATIONS OF CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS PFIZER PRODUCTS INC. (US) 2003-01-03 WO disclosed
WO-2003000238-A1 PHARMACEUTICAL COMPOSITIONS OF ADSORBATES OF AMORPHOUS DRUG PFIZER PRODUCTS INC. (US) 2003-01-03 WO disclosed
EP-1269994-A2 Pharmaceutical compositions comprising drug and concentration-enhancing polymers Pfizer Products Inc. (US) 2003-01-02 EP disclosed
US-20020103225-A1 Pharmaceutical compositions of cholesteryl ester transfer protein inhibitors BEND RESEARCH INC. 2002-08-01 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 (4 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-20020103225-A1 Pharmaceutical compositions of cholesteryl ester transfer protein inhibitors CETP, HDLBP, NPC1L1 CETP 1/4885KDM4E 2729/4885ALDH1A1 4028/4885
US-20030022944-A1 Self-emulsifying formulations of cholesteryl ester transfer protein inhibitors CETP, LCAT, LIPA CETP 1/4885KDM4E 3183/4885ALDH1A1 4321/4885
US-20160374945-A1 PHARMACEUTICAL COMPOSITIONS OF DISPERSIONS OF DRUG AND NEUTRAL POLYMERS LIPA, ABCG2, ABCB11 CETP 227/4885KDM4E 3601/4885ALDH1A1 1115/4885
US-20140210117-A1 PHARMACEUTICAL COMPOSITIONS OF DISPERSIONS OF DRUG AND NEUTRAL POLYMERS LIPA, ABCG2, ABCB11 CETP 227/4885KDM4E 3601/4885ALDH1A1 1115/4885

“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.