SCHEMBL4857375

SCHEMBL4857375

CC(C)c1[nH][nH]c(=O)c1Cc1ccccc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 1/20 0.56
PDE1A P54750 1/20 0.56
PDE1B Q01064 1/20 0.56
PDE1C Q14123 1/20 0.56
SLC5A1 P13866 1/20 0.46
SLC5A2 P31639 1/20 0.46
HTR1A P08908 2/20 0.44
DRD2 P14416 2/20 0.44
GAA P10253 1/20 0.42
MGLL Q99685 1/20 0.41
ABCB1 P08183 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CCR5 P51681 1/20 0.40
HRH1 P35367 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
TP53 P04637 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
SCHEMBL5644790 0.89 SLC1A5 (0.47) PDE9APDE1APDE1BPDE1CSLC5A1
SCHEMBL5645745 0.87 ABCB1 (0.55) PDE9APDE1APDE1BPDE1CHTR1A
SCHEMBL5644066 0.86 PDE9A (0.43) PDE9APDE1APDE1BPDE1CSLC5A1
SCHEMBL5644270 0.82 SLC6A4 (0.46) PDE9APDE1APDE1BPDE1CHRH1
SCHEMBL5645288 0.82 PDE9A (0.40) PDE9APDE1APDE1BPDE1CSLC5A1
SCHEMBL5643056 0.81 GAA (0.46) PDE9APDE1APDE1BPDE1CSLC5A1
SCHEMBL4181067 0.81 HPGD (0.45) L3MBTL1LMNA
SCHEMBL5644271 0.80 HTR1A (0.44) PDE9APDE1APDE1BPDE1CHTR1A
SCHEMBL5643270 0.80 SLC5A1 (0.46) PDE9APDE1APDE1BPDE1CSLC5A1
SCHEMBL5643855 0.80 DAO (0.43) PDE9APDE1APDE1BPDE1CHTR1A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439232-B2 Heteroaryl 5-thio-β-D-glucopyranoside derivatives and therapeutic agents for diabetes containing the same TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-10-21 US disclosed
US-7217697-B2 Glucopyranosyloxypyrazole derivative medicinal composition containing the same medicinal use thereof and intermediate therefor KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-05-15 US disclosed
US-20060194809-A1 Heteroaryl 5-thio-beta-d-gucopyranoside derivatives and therapeutic agents for diabetes containing the same TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-08-31 US disclosed
EP-1609799-A1 HETEROARYL 5-THIO-BETA-D-GLUCOPYRANOSIDE DERIVATIVES AND REMEDIES FOR DIABETES CONTAINING THE SAME TAISHO PHARMACEUTICAL CO., LTD (JP) 2005-12-28 EP disclosed
US-20040176308-A1 Glucopyranosyloxypyrazole derivative medicinal composition containing the same medicinal use thereof and intermediate therefor KISSEI PHARMACEUTICAL CO., LTD. (JP) 2004-09-09 US disclosed
EP-1400529-A1 GLUCOPYRANOSYLOXYPYRAZOLE DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE THEREFOR Kissei Pharmaceutical Co., Ltd. (JP) 2004-03-24 EP 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 (2 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-20060194809-A1 Heteroaryl 5-thio-beta-d-gucopyranoside derivatives and therapeutic agents for diabetes containing the same SLC5A2, SLC5A1, UGGT1 PDE9A 2242/4885PDE1A 3987/4885PDE1B 3822/4885
US-20040176308-A1 Glucopyranosyloxypyrazole derivative medicinal composition containing the same medicinal use thereof and intermediate therefor SLC5A1, SLC5A2, UGGT1 PDE9A 3540/4885PDE1A 4389/4885PDE1B 4290/4885

“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.