SCHEMBL993395

SCHEMBL993395

O=C(Nc1ccccc1SSc1ccccc1NC(=O)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.63
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
CETP P11597 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
P2RX7 Q99572 5/20 0.52
P2RX4 Q99571 1/20 0.52
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
ABCB1 P08183 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
HPGD P15428 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL13232758 0.80 CNR2 (0.44) CNR2MEN1KMT2ANPSR1CETP
SCHEMBL11822463 0.80 P2RX7 (0.74) CNR2MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL28333322 0.80 CNR2 (0.65) CNR2MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL14503273 0.78 SMN1; SMN2 (0.66) CNR2MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL14503268 0.77 EPHX2 (0.67) CNR2MEN1KMT2ANPSR1P2RX7
SCHEMBL7705995 0.76 P2RX7 (0.71) CNR2MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL8563855 0.75 SIGMAR1 (0.62) CNR2MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL2348189 0.75 SMN1; SMN2 (0.63) CNR2MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL14859029 0.72 CNR2 (0.59) CNR2MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL7661009 0.72 CNR2 (0.55) CNR2MEN1KMT2ANPSR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048452-B2 Pharmaceutical compositions of cholesteryl ester transfer protein inhibitor BEND RESEARCH, INC. (US) 2011-11-01 US claimed
US-20060211654-A1 Pharmaceutical Compositions of Cholesteryl Ester Transfer Protein Inhibitor PFIZER PRODUCTS INC. 2006-09-21 US claimed
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-20210338626-A1 METHODS FOR TREATING OR PREVENTING A VIRAL INFECTION OR INHIBITING VIRAL REPLICATION DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2021-11-04 US disclosed
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-9000045-B2 CETP activity inhibitors JAPAN TOBACCO INC. (JP) 2015-04-07 US disclosed
US-9000045-B2 CETP activity inhibitors JAPAN TOBACCO INC. (JP) 2015-04-07 US disclosed
US-20140210117-A1 PHARMACEUTICAL COMPOSITIONS OF DISPERSIONS OF DRUG AND NEUTRAL POLYMERS BEND RESEARCH, INC. (US) 2014-07-31 US disclosed
US-20030072801-A1 Pharmaceutical compositions comprising drug and concentration-enhancing polymers PFIZER INC. 2003-04-17 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-2003000295-A2 SELF-EMULSIFYING FORMULATIONS OF CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS 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 (9 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-20210338626-A1 METHODS FOR TREATING OR PREVENTING A VIRAL INFECTION OR INHIBITING VIRAL REPLICATION ACE, ACE2, REN CNR2 1850/4885MEN1 4536/4885KMT2A 886/4885
US-20030072801-A1 Pharmaceutical compositions comprising drug and concentration-enhancing polymers ABCB1, ABCG2, CYP3A7 CNR2 1294/4885MEN1 1550/4885KMT2A 4213/4885
US-20030054038-A1 Pharmaceutical compositions of drugs and neutralized acidic polymers PDE7A, CA6, PDE9A CNR2 1146/4885MEN1 1485/4885KMT2A 4210/4885
US-20020103225-A1 Pharmaceutical compositions of cholesteryl ester transfer protein inhibitors CETP, HDLBP, NPC1L1 CNR2 4792/4885MEN1 3674/4885KMT2A 3753/4885
US-20030054037-A1 Pharmaceutical compositions of adsorbates of amorphous drug ABCG2, ALB, SLCO1A2 CNR2 2209/4885MEN1 3672/4885KMT2A 2286/4885
US-20030022944-A1 Self-emulsifying formulations of cholesteryl ester transfer protein inhibitors CETP, LCAT, LIPA CNR2 3558/4885MEN1 3893/4885KMT2A 3362/4885
US-20160374945-A1 PHARMACEUTICAL COMPOSITIONS OF DISPERSIONS OF DRUG AND NEUTRAL POLYMERS LIPA, ABCG2, ABCB11 CNR2 1412/4885MEN1 3647/4885KMT2A 4499/4885
US-20060211654-A1 Pharmaceutical Compositions of Cholesteryl Ester Transfer Protein Inhibitor CETP, HDLBP, MTTP CNR2 4796/4885MEN1 3680/4885KMT2A 3666/4885
US-20140210117-A1 PHARMACEUTICAL COMPOSITIONS OF DISPERSIONS OF DRUG AND NEUTRAL POLYMERS LIPA, ABCG2, ABCB11 CNR2 1412/4885MEN1 3647/4885KMT2A 4499/4885

“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.