SCHEMBL5478604

SCHEMBL5478604

F[B-](F)(F)F.N#[N+]c1cc(Cl)c(Cl)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 2/20 0.35
HPGD P15428 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
HSD17B10 Q99714 1/20 0.35
AHR P35869 4/20 0.34
CYP1B1 Q16678 1/20 0.34

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
Hydrochloric Acid SCHEMBL3061282 0.87 ALDH1A1 (0.43) ALDH1A1CYP3A4HPGDCRHBPCRHR2
SCHEMBL2192678 0.82 HSD17B10 (0.42) ALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL829628 0.78 TSHR (0.40) CYP3A4
SCHEMBL1578248 0.77 AHR (0.37) ALDH1A1CYP3A4HSD17B10AHRCYP1B1
SCHEMBL14739391 0.75
SCHEMBL9847915 0.74 MEN1 (0.35) ALDH1A1CYP3A4HPGD
SCHEMBL18662116 0.73 ALDH1A1 (0.30) ALDH1A1
SCHEMBL8794846 0.70 KDM4E (0.35) ALDH1A1HSD17B10
SCHEMBL8013446 0.70 HSD17B10 (0.50) ALDH1A1CYP3A4HPGDCRHBPCRHR2
SCHEMBL9672417 0.69 MAPT (0.38) ALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11919921-B2 Galactoside inhibitor of galectins GALECTO BIOTECH AB (DK) 2024-03-05 US disclosed
US-20220289783-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS GALECTO BIOTECH AB (DK) 2022-09-15 US disclosed
US-11377464-B2 Galactoside inhibitor of galectins GALECTO BIOTECH AB (DK) 2022-07-05 US disclosed
CN-113621005-A alpha-D-galactoside inhibitors of galectins 格莱克特生物技术公司 2021-11-09 CN disclosed
CN-107406478-B alpha-D-galactoside inhibitors of galectins 格莱克特生物技术公司 2021-07-27 CN disclosed
EP-3828191-A2 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS Galecto Biotech AB (DK) 2021-06-02 EP disclosed
EP-3250581-B1 ALPHA-D-GALACTOSIDE INHIBITORS OF GALECTINS GALECTO BIOTECH AB (DK) 2021-01-20 EP disclosed
US-20200407391-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS GALECTO BIOTECH AB (DK) 2020-12-31 US disclosed
US-10774102-B2 Galactoside inhibitor of galectins GALECTO BIOTECH AB (DK) 2020-09-15 US disclosed
US-20170349619-A1 ALPHA-D-GALACTOSIDE INHIBITORS OF GALECTINS GALECTO BIOTECH AB (DK) 2017-12-07 US disclosed
EP-3250581-A1 ALPHA-D-GALACTOSIDE INHIBITORS OF GALECTINS Galecto Biotech AB (DK) 2017-12-06 EP disclosed
WO-2016120403-A1 ALPHA-D-GALACTOSIDE INHIBITORS OF GALECTINS GALECTO BIOTECH AB (DK) 2016-08-04 WO disclosed
US-20070072859-A1 Pharmaceutical compounds ELI LILLY AND COMPANY (US) 2007-03-29 US disclosed
EP-1725518-A1 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 2006-11-29 EP disclosed
WO-2005092835-A1 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 2005-10-06 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 (7 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-20200407391-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS LGALS1, LGALS3, LGALS2 ALDH1A1 1785/4885CYP3A4 4312/4885HPGD 3116/4885
US-11377464-B2 Galactoside inhibitor of galectins LGALS3, LGALS1, LGALS2 ALDH1A1 1974/4885CYP3A4 4163/4885HPGD 2838/4885
US-11919921-B2 Galactoside inhibitor of galectins LGALS3, LGALS1, LGALS2 ALDH1A1 1974/4885CYP3A4 4163/4885HPGD 2838/4885
US-20070072859-A1 Pharmaceutical compounds ADRB3, HTR3C, SLC6A2 ALDH1A1 1174/4885CYP3A4 273/4885HPGD 2147/4885
US-20220289783-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS LGALS1, LGALS3, LGALS2 ALDH1A1 1785/4885CYP3A4 4312/4885HPGD 3116/4885
US-20170349619-A1 ALPHA-D-GALACTOSIDE INHIBITORS OF GALECTINS LGALS3, LGALS1, LGALS2 ALDH1A1 1252/4885CYP3A4 4028/4885HPGD 1958/4885
US-10774102-B2 Galactoside inhibitor of galectins LGALS3, LGALS1, LGALS2 ALDH1A1 1974/4885CYP3A4 4163/4885HPGD 2838/4885

“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.