SCHEMBL5222510

SCHEMBL5222510

CO[C@H]1CCCC[C@@H]1OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 1/20 0.46
ENPP3 O14638 2/20 0.45
ENPP1 P22413 2/20 0.45
ENPP2 Q13822 2/20 0.45
ALDH1A1 P00352 5/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
KMT2A Q03164 1/20 0.41
ACHE P22303 1/20 0.41
POLB P06746 3/20 0.40
HTR6 P50406 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL5222514 1.00 CYP2D6 (0.55) CYP2D6CYP1A2CYP3A4CYP2C19ENPP3
SCHEMBL2632637 1.00 CYP2D6 (0.55) CYP2D6CYP1A2CYP3A4CYP2C19ENPP3
SCHEMBL12810140 1.00 CYP2D6 (0.55) CYP2D6CYP1A2CYP3A4CYP2C19ENPP3
SCHEMBL5222520 1.00 CYP2D6 (0.55) CYP2D6CYP1A2CYP3A4CYP2C19ENPP3
SCHEMBL5224782 0.97 CYP2D6 (0.55) CYP2D6CYP1A2CYP3A4CYP2C19ENPP3
SCHEMBL5224778 0.97 CYP2D6 (0.55) CYP2D6CYP1A2CYP3A4CYP2C19ENPP3
SCHEMBL5224786 0.97 CYP2D6 (0.55) CYP2D6CYP1A2CYP3A4CYP2C19ENPP3
SCHEMBL8744470 0.93 CYP2D6 (0.60) CYP2D6CYP1A2CYP3A4CYP2C19ENPP3
SCHEMBL8744474 0.93 CYP2D6 (0.60) CYP2D6CYP1A2CYP3A4CYP2C19ENPP3
SCHEMBL8744478 0.93 CYP2D6 (0.60) CYP2D6CYP1A2CYP3A4CYP2C19ENPP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070292875-A1 Human RNase H1 oligonucleotide compositions thereof ISIS PHARMACEUTICALS, INC. (US) 2007-12-20 US disclosed
US-20070123702-A1 Oligonucleotdies having A-DNA form and B-DNA form conformational geometry MANOHARAN MUTHIAH 2007-05-31 US disclosed
EP-1743901-A2 Oligonucleotides having A-DNA or B-DNA form ISIS PHARMACEUTICALS, INC. (US) 2007-01-17 EP disclosed
US-7119184-B2 Oligonucleotides having A-DNA form and B-DNA form conformational geometry ISIS PHARMACEUTICALS, INC. (US) 2006-10-10 US disclosed
EP-1222309-B1 HUMAN RNASE H AND OLIGONUCLEOTIDE COMPOSITIONS THEREOF ISIS PHARMACEUTICALS INC (US) 2005-12-07 EP disclosed
EP-1100809-B1 RNA TARGETED 2'-MODIFIED OLIGONUCLEOTIDES THAT ARE CONFORMATIONALLY PREORGANIZED ISIS PHARMACEUTICALS INC (US) 2004-09-22 EP disclosed
US-20040102618-A1 Human RNase H1 and oligonucleotide compositions thereof ISIS PHARMACEUTICALS, INC. 2004-05-27 US disclosed
US-6737520-B2 FOR USE AS SUBSTRATE FOR RIBONUCLEASE AND CONTROLLING BINDING AFFINITY/NUCLEASE RESISTANCE ISIS PHARMACEUTICALS, INC. 2004-05-18 US disclosed
US-6617442-B1 Divided into two portions, one of which supports cleavage of target RNA; use in enhancing antisense therapies ISIS PHARMACEUTICALS, INC. 2003-09-09 US disclosed
US-20030105311-A1 Oligonucleotides having A-DNA form and B-DNA form conformational geometry ISIS PHARMACEUTICALS, INC. 2003-06-05 US disclosed
EP-1180113-A4 OLIGONUCLEOTIDES HAVING A-DNA FORM AND B-DNA FORM CONFORMATIONAL GEOMETRY ISIS PHARMACEUTICALS INC (US) 2002-09-18 EP disclosed
EP-1222309-A1 HUMAN RNASE H AND OLIGONUCLEOTIDE COMPOSITIONS THEREOF ISIS PHARMACEUTICALS, INC. (US) 2002-07-17 EP disclosed
US-6369209-B1 AFFINITY AND NUCLEASE RESISTANCE WHILE CONCURRENTLY SERVING AS SUBSTRATES FOR RNASE H WHEN BOUND TO A TARGET RNA STRAND ISIS PHARMACEUTICALS, INC. 2002-04-09 US disclosed
EP-1100809-A4 RNA TARGETED 2'-MODIFIED OLIGONUCLEOTIDES THAT ARE CONFORMATIONALLY PREORGANIZED ISIS PHARMACEUTICALS INC (US) 2002-02-27 EP disclosed
EP-1180113-A1 OLIGONUCLEOTIDES HAVING A-DNA FORM AND B-DNA FORM CONFORMATIONAL GEOMETRY ISIS PHARMACEUTICALS, INC. (US) 2002-02-20 EP disclosed
US-6271358-B1 FOR INHIBITING SPECIFIC GENE EXPRESSION; HAVING ENHANCED HYBRID BINDING AFFINITY AND/OR INCREASED NUCLEASE RESISTANCE ISIS PHARMACEUTICALS, INC. 2001-08-07 US disclosed
EP-1100809-A1 RNA TARGETED 2'-MODIFIED OLIGONUCLEOTIDES THAT ARE CONFORMATIONALLY PREORGANIZED ISIS PHARMACEUTICALS, INC. (US) 2001-05-23 EP disclosed
WO-2001023613-A1 HUMAN RNASE H AND OLIGONUCLEOTIDE COMPOSITIONS THEREOF ISIS PHARMACEUTICALS, INC. (US) 2001-04-05 WO disclosed
WO-2000066609-A1 OLIGONUCLEOTIDES HAVING A-DNA FORM AND B-DNA FORM CONFORMATIONAL GEOMETRY ISIS PHARMACEUTICALS, INC. (US) 2000-11-09 WO disclosed
WO-2000006590-A1 RNA TARGETED 2'-MODIFIED OLIGONUCLEOTIDES THAT ARE CONFORMATIONALLY PREORGANIZED ISIS PHARMACEUTICALS, INC. (US) 2000-02-10 WO 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-20030105311-A1 Oligonucleotides having A-DNA form and B-DNA form conformational geometry RNGTT, RNASEH1, ADAR CYP2D6 2259/4885CYP1A2 4324/4885CYP3A4 2794/4885
US-20070292875-A1 Human RNase H1 oligonucleotide compositions thereof RNASEH1, RNASE1, RNASEL CYP2D6 3440/4885CYP1A2 3652/4885CYP3A4 4236/4885
US-20040102618-A1 Human RNase H1 and oligonucleotide compositions thereof RNASEH1, RNASE1, RNASEL CYP2D6 3381/4885CYP1A2 3541/4885CYP3A4 4287/4885
US-20070123702-A1 Oligonucleotdies having A-DNA form and B-DNA form conformational geometry RNASEH1, RNGTT, ADAR CYP2D6 2277/4885CYP1A2 4597/4885CYP3A4 3270/4885

“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.