SCHEMBL994841

SCHEMBL994841

CCCCCCCCCCCCCc1n[nH]c(=S)n1-c1cccc(SC)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.70
HPGD P15428 3/20 0.52
GAA P10253 3/20 0.52
APOBEC3G Q9HC16 1/20 0.52
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
NPC1 O15118 1/20 0.48
TDP1 Q9NUW8 4/20 0.45
LMNA P02545 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 4/20 0.45
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 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
SCHEMBL993486 0.85 CETP (0.72) CETPHPGDGAAAPOBEC3GALDH1A1
SCHEMBL993228 0.84 CETP (0.74) CETPHPGDGAAAPOBEC3GALDH1A1
SCHEMBL992675 0.83 CETP (0.73) CETPHPGDGAAAPOBEC3GALDH1A1
SCHEMBL993611 0.83 CETP (0.73) CETPHPGDGAAAPOBEC3GALDH1A1
SCHEMBL16774633 0.82 CETP (1.00) CETPHPGDGAAAPOBEC3GALDH1A1
SCHEMBL992553 0.82 CETP (0.71) CETPHPGDGAAAPOBEC3GALDH1A1
SCHEMBL993229 0.82 CETP (0.71) CETPHPGDGAAAPOBEC3GALDH1A1
SCHEMBL993028 0.82 CETP (0.71) CETPHPGDGAAAPOBEC3GALDH1A1
SCHEMBL993442 0.82 CETP (0.71) CETPHPGDGAAAPOBEC3GALDH1A1
SCHEMBL992572 0.81 CETP (0.68) CETPHPGDGAAAPOBEC3GALDH1A1

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
US-20030022944-A1 Self-emulsifying formulations of cholesteryl ester transfer protein inhibitors PFIZER INC. 2003-01-30 US 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-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-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-20030054037-A1 Pharmaceutical compositions of adsorbates of amorphous drug 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 (6 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 1214/4885HPGD 208/4885GAA 23/4885
US-20020103225-A1 Pharmaceutical compositions of cholesteryl ester transfer protein inhibitors CETP, HDLBP, NPC1L1 CETP 1/4885HPGD 3772/4885GAA 1537/4885
US-20030054037-A1 Pharmaceutical compositions of adsorbates of amorphous drug ABCG2, ALB, SLCO1A2 CETP 162/4885HPGD 2133/4885GAA 213/4885
US-20030022944-A1 Self-emulsifying formulations of cholesteryl ester transfer protein inhibitors CETP, LCAT, LIPA CETP 1/4885HPGD 3580/4885GAA 1428/4885
US-20160374945-A1 PHARMACEUTICAL COMPOSITIONS OF DISPERSIONS OF DRUG AND NEUTRAL POLYMERS LIPA, ABCG2, ABCB11 CETP 227/4885HPGD 32/4885GAA 66/4885
US-20140210117-A1 PHARMACEUTICAL COMPOSITIONS OF DISPERSIONS OF DRUG AND NEUTRAL POLYMERS LIPA, ABCG2, ABCB11 CETP 227/4885HPGD 32/4885GAA 66/4885

“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.