SCHEMBL5646161

SCHEMBL5646161

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 1/20 0.46
SLC5A2 P31639 1/20 0.46
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
PDE9A O76083 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE1C Q14123 1/20 0.41
MGLL Q99685 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
ABCB1 P08183 2/20 0.39
GAA P10253 1/20 0.39
PTPRC P08575 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPRB P23467 1/20 0.39
PTPN6 P29350 1/20 0.39
PTPN11 Q06124 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
SCHEMBL5645314 0.91 GAA (0.43) SLC5A1SLC5A2RXRARXRBRXRG
SCHEMBL5646148 0.90 HTR1A (0.43) SLC5A1SLC5A2HTR1ADRD2PDE9A
SCHEMBL5644883 0.88 ALOX12 (0.47)
SCHEMBL5643270 0.88 SLC5A1 (0.46) SLC5A1SLC5A2HTR1ADRD2PDE9A
SCHEMBL9486518 0.82 PDE9A (0.43) DRD2PDE9APDE1APDE1BPDE1C
SCHEMBL2254121 0.79 CYP1A2 (0.45) ALDH1A1
SCHEMBL4169544 0.79 S1PR1 (0.43) PKMMAOAMAOB
SCHEMBL5643056 0.79 GAA (0.46) SLC5A1SLC5A2HTR1ADRD2PDE9A
SCHEMBL5644271 0.78 HTR1A (0.44) HTR1ADRD2PDE9APDE1APDE1B
SCHEMBL4857375 0.78 PDE9A (0.56) SLC5A1SLC5A2HTR1ADRD2PDE9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (1 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-20040176308-A1 Glucopyranosyloxypyrazole derivative medicinal composition containing the same medicinal use thereof and intermediate therefor SLC5A1, SLC5A2, UGGT1 SLC5A1 1/4885SLC5A2 2/4885HTR1A 1373/4885

“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.