SCHEMBL993164

SCHEMBL993164

CCCCCCCCCCCCCc1n[nH]c(=S)n1-c1ccccc1OCC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.64
ALDH1A1 P00352 8/20 0.52
NPC1 O15118 1/20 0.52
NPSR1 Q6W5P4 1/20 0.48
HPGD P15428 4/20 0.47
APOBEC3G Q9HC16 2/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 4/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 1/20 0.45
KDM4E B2RXH2 4/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
MAPK1 P28482 2/20 0.43
GFER P55789 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CACNA2D1 P54289 1/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL992933 0.89 CETP (0.65) CETPALDH1A1NPC1HPGDAPOBEC3G
SCHEMBL993110 0.84 CETP (0.68) CETPALDH1A1NPC1NPSR1HPGD
SCHEMBL993418 0.83 CETP (0.70) CETPALDH1A1NPC1NPSR1HPGD
SCHEMBL993454 0.83 CETP (0.70) CETPALDH1A1NPC1HPGDAPOBEC3G
SCHEMBL993379 0.80 CETP (0.65) CETPALDH1A1NPC1NPSR1HPGD
SCHEMBL993422 0.80 CETP (0.65) CETPALDH1A1NPC1HPGDAPOBEC3G
SCHEMBL16774633 0.78 CETP (1.00) CETPALDH1A1NPC1NPSR1HPGD
SCHEMBL5426629 0.77 ALDH1A1 (0.53) ALDH1A1NPSR1HPGDAPOBEC3GGAA
SCHEMBL6289131 0.75 CETP (0.59) CETPALDH1A1NPC1HPGDAPOBEC3G
SCHEMBL992606 0.74 ALDH1A1 (0.60) CETPALDH1A1NPC1NPSR1HPGD

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 91 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
WO-1999014204-A1 SUBSTITUTED 1,2,4-TRIAZOLES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY G.D. SEARLE & CO. (US) 1999-03-25 WO 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
EP-2305217-B1 Method for the preparation of pharmaceutical compositions comprising a solid amorphous dispersion of cholesteryl ester transfer protein inhibitors BEND RES INC (US) 2014-07-30 EP disclosed
US-8703196-B2 Pharmaceutical compositions of dispersions of amorphous drugs mixed with polymers BEND RESEARCH, INC. (US) 2014-04-22 US disclosed
US-8703199-B2 Pharmaceutical compositions of adsorbates of amorphous drug BEND RESEARCH, INC. (US) 2014-04-22 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 1/4885ALDH1A1 4028/4885NPC1 7/4885
US-20030022944-A1 Self-emulsifying formulations of cholesteryl ester transfer protein inhibitors CETP, LCAT, LIPA CETP 1/4885ALDH1A1 4321/4885NPC1 16/4885
US-20160374945-A1 PHARMACEUTICAL COMPOSITIONS OF DISPERSIONS OF DRUG AND NEUTRAL POLYMERS LIPA, ABCG2, ABCB11 CETP 227/4885ALDH1A1 1115/4885NPC1 1528/4885
US-20140210117-A1 PHARMACEUTICAL COMPOSITIONS OF DISPERSIONS OF DRUG AND NEUTRAL POLYMERS LIPA, ABCG2, ABCB11 CETP 227/4885ALDH1A1 1115/4885NPC1 1528/4885

“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.