SCHEMBL2810641

SCHEMBL2810641

COC(=O)c1cc2cc(OS(=O)(=O)C(F)(F)F)ccc2o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.56
HSD11B1 P28845 1/20 0.49
BCAT1 P54687 1/20 0.48
FLT3 P36888 1/20 0.46
TAS1R3 Q7RTX0 4/20 0.45
TAS1R1 Q7RTX1 4/20 0.45
MAPT P10636 2/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
KDM4E B2RXH2 2/20 0.43
CA2 P00918 4/20 0.43
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CA12 O43570 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CA1 P00915 1/20 0.41
CA3 P07451 1/20 0.41
HPGD P15428 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
SCHEMBL1918754 0.86 PIM1 (0.52) PIM1HSD11B1BCAT1FLT3TAS1R3
SCHEMBL29463590 0.81 KDM4E (0.69) HSD11B1MAPTKDM4ELMNATP53
SCHEMBL446971 0.81 TAS1R3 (0.64) BCAT1FLT3TAS1R3TAS1R1MAPT
SCHEMBL2081885 0.78 HSD11B1 (0.59) PIM1HSD11B1MAPTCASP3SENP7
SCHEMBL7799411 0.77 HSD11B1 (0.49) PIM1HSD11B1FLT3TAS1R3TAS1R1
SCHEMBL8696625 0.77 FLT3 (0.76) PIM1FLT3TAS1R3TAS1R1MAPT
SCHEMBL3316267 0.77 STS (0.49) HSD11B1MAPTKDM4ECA2LMNA
SCHEMBL17161458 0.77 PIM1 (0.68) PIM1MAPTCASP3SENP7TDP1
SCHEMBL18001830 0.77 HSD11B1 (0.58) HSD11B1MAPTKDM4ECA2TP53
SCHEMBL9048693 0.76 PIM1 (0.49) PIM1FLT3TAS1R3TAS1R1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111646889-B Green synthesis method of drug active molecules GC-24 and furaldehyde 兰州大学 2023-01-31 CN claimed
CN-111646889-A Green synthesis method of drug active molecules GC-24 and furaldehyde 兰州大学 2020-09-11 CN claimed
CN-111646889-B Green synthesis method of drug active molecules GC-24 and furaldehyde 兰州大学 2023-01-31 CN disclosed
CN-111646889-A Green synthesis method of drug active molecules GC-24 and furaldehyde 兰州大学 2020-09-11 CN disclosed
US-20100249179-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-09-30 US disclosed
US-20100249179-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-09-30 US disclosed
US-20100249179-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-09-30 US disclosed
EP-2170072-A1 FARNESOID X RECEPTOR AGONISTS GlaxoSmithKline LLC (US) 2010-04-07 EP disclosed
WO-2008157270-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-24 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 (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-20100249179-A1 Farnesoid X Receptor Agonists NR1H4, NR1H3, NR1H2 PIM1 4490/4885HSD11B1 105/4885BCAT1 2752/4885

“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.