SCHEMBL994763

SCHEMBL994763

CCCCCCCCCCCCCc1n[nH]c(=S)n1C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.54
HPGD P15428 10/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
CETP P11597 1/20 0.51
GAA P10253 10/20 0.51
LMNA P02545 6/20 0.51
KDM4E B2RXH2 4/20 0.51
ALOX15 P16050 2/20 0.50
TSHR P16473 2/20 0.50
NPSR1 Q6W5P4 3/20 0.48
NPC1 O15118 1/20 0.46
ALOX12 P18054 3/20 0.46
MAPT P10636 2/20 0.46
XBP1 P17861 2/20 0.46
GPR55 Q9Y2T6 1/20 0.46
APOBEC3G Q9HC16 3/20 0.45
HSD17B10 Q99714 1/20 0.43
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
KCNH2 Q12809 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
SCHEMBL16774867 0.72 CETP (0.57) ALDH1A1HPGDSMN1; SMN2CETPGAA
SCHEMBL16774633 0.68 CETP (1.00) ALDH1A1HPGDSMN1; SMN2CETPGAA
SCHEMBL11511427 0.68 ALDH1A1 (0.43) ALDH1A1HPGDSMN1; SMN2GAAALOX15
SCHEMBL993344 0.66 CETP (0.67) ALDH1A1HPGDSMN1; SMN2CETPGAA
SCHEMBL993418 0.65 CETP (0.70) ALDH1A1HPGDSMN1; SMN2CETPGAA
SCHEMBL993454 0.65 CETP (0.70) ALDH1A1HPGDSMN1; SMN2CETPGAA
SCHEMBL10834036 0.65 TLR7 (0.38) ALDH1A1SMN1; SMN2LMNANPSR1NPC1
SCHEMBL993486 0.64 CETP (0.72) ALDH1A1HPGDCETPGAALMNA
SCHEMBL993375 0.64 CETP (0.72) ALDH1A1HPGDSMN1; SMN2CETPGAA
SCHEMBL7327194 0.64 ALDH1A1 (0.72) ALDH1A1HPGDCETPGAALMNA

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 90 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
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-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-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-2003000295-A2 SELF-EMULSIFYING FORMULATIONS OF CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS 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-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-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 ALDH1A1 4028/4885HPGD 3772/4885SMN1; SMN2 4628/4885
US-20030022944-A1 Self-emulsifying formulations of cholesteryl ester transfer protein inhibitors CETP, LCAT, LIPA ALDH1A1 4321/4885HPGD 3580/4885SMN1; SMN2 4823/4885
US-20160374945-A1 PHARMACEUTICAL COMPOSITIONS OF DISPERSIONS OF DRUG AND NEUTRAL POLYMERS LIPA, ABCG2, ABCB11 ALDH1A1 1115/4885HPGD 32/4885SMN1; SMN2 891/4885
US-20140210117-A1 PHARMACEUTICAL COMPOSITIONS OF DISPERSIONS OF DRUG AND NEUTRAL POLYMERS LIPA, ABCG2, ABCB11 ALDH1A1 1115/4885HPGD 32/4885SMN1; SMN2 891/4885

“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.