SCHEMBL993954

SCHEMBL993954

CCCCCCCCCCCCCc1n[nH]c(=S)n1-c1ccc(C)c(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.64
GAA P10253 3/20 0.54
MAPT P10636 2/20 0.54
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 5/20 0.49
NPC1 O15118 1/20 0.49
APOBEC3G Q9HC16 2/20 0.47
HPGD P15428 1/20 0.47
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 2/20 0.43
LMNA P02545 1/20 0.43
UCHL3 P15374 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 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
SCHEMBL993611 0.82 CETP (0.73) CETPGAAMAPTALDH1A1NPC1
SCHEMBL993228 0.81 CETP (0.74) CETPGAAMAPTKMT2AALDH1A1
SCHEMBL993377 0.80 CETP (0.73) CETPGAAMAPTALDH1A1NPC1
SCHEMBL992627 0.79 CETP (0.64) CETPGAAMAPTKMT2AALDH1A1
SCHEMBL16774633 0.78 CETP (1.00) CETPGAAMAPTALDH1A1NPC1
SCHEMBL992675 0.77 CETP (0.73) CETPGAAMAPTALDH1A1NPC1
SCHEMBL992794 0.77 CETP (0.61) CETPGAAKMT2AALDH1A1NPC1
SCHEMBL993486 0.77 CETP (0.72) CETPGAAMAPTALDH1A1NPC1
SCHEMBL993375 0.77 CETP (0.72) CETPGAAMAPTALDH1A1NPC1
SCHEMBL993110 0.77 CETP (0.68) CETPGAAMAPTALDH1A1NPC1

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 85 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-8389011-B2 Pharmaceutical compositions of cholesteryl ester transfer protein inhibitors BEND RESEARCH, INC. (US) 2013-03-05 US disclosed
US-8389006-B2 Pharmaceutical compositions of adsorbates of amorphous drug BEND RESEARCH, INC. (US) 2013-03-05 US disclosed
US-20030054038-A1 Pharmaceutical compositions of drugs and neutralized acidic polymers BEND RESEARCH, INC. 2003-03-20 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-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 (5 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-20030054038-A1 Pharmaceutical compositions of drugs and neutralized acidic polymers PDE7A, CA6, PDE9A CETP 1214/4885GAA 23/4885MAPT 543/4885
US-20020103225-A1 Pharmaceutical compositions of cholesteryl ester transfer protein inhibitors CETP, HDLBP, NPC1L1 CETP 1/4885GAA 1537/4885MAPT 893/4885
US-20030022944-A1 Self-emulsifying formulations of cholesteryl ester transfer protein inhibitors CETP, LCAT, LIPA CETP 1/4885GAA 1428/4885MAPT 1895/4885
US-20160374945-A1 PHARMACEUTICAL COMPOSITIONS OF DISPERSIONS OF DRUG AND NEUTRAL POLYMERS LIPA, ABCG2, ABCB11 CETP 227/4885GAA 66/4885MAPT 972/4885
US-20140210117-A1 PHARMACEUTICAL COMPOSITIONS OF DISPERSIONS OF DRUG AND NEUTRAL POLYMERS LIPA, ABCG2, ABCB11 CETP 227/4885GAA 66/4885MAPT 972/4885

“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.