SCHEMBL22836884

SCHEMBL22836884

COC(=O)c1cc(I)c(Cl)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.45
GAA P10253 2/20 0.41
HPGD P15428 5/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ABL1 P00519 1/20 0.40
SOS1 Q07889 1/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
NR4A2 P43354 1/20 0.39
LMNA P02545 2/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL7082612 0.86 GAA (0.46) CFTRGAAHPGDALDH1A1SMN1; SMN2
SCHEMBL21857249 0.85 GAA (0.50) CFTRGAAHPGDALDH1A1SMN1; SMN2
SCHEMBL26236304 0.85 GAA (0.50) GAAHPGDALDH1A1SMN1; SMN2ABL1
SCHEMBL2849661 0.84 CFTR (0.45) CFTRGAAHPGDALDH1A1SMN1; SMN2
SCHEMBL11922634 0.84 CFTR (0.49) CFTRGAAHPGDALDH1A1ABL1
SCHEMBL12683792 0.84 HPGD (0.51) GAAHPGDALDH1A1SMN1; SMN2ABL1
SCHEMBL12488367 0.81 CFTR (0.43) CFTRGAAHPGDALDH1A1SMN1; SMN2
SCHEMBL10200826 0.81 CFTR (0.46) CFTRGAASMN1; SMN2SOS1POLB
SCHEMBL19947385 0.81 CFTR (0.46) CFTRGAAHPGDALDH1A1SMN1; SMN2
SCHEMBL9617792 0.81 CA12 (0.44) GAAHPGDALDH1A1SMN1; SMN2ABL1

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-20220259167-A1 FUROSEMIDE ANALOGUES AND COMPOSITIONS AND USES THEREOF FOR TREATMENT OF ALZHEIMER'S DISEASE UNIVERSITY HEALTH NETWORK (CA) 2022-08-18 US disclosed
WO-2020257940-A1 FUROSEMIDE ANALOGUES AND COMPOSITIONS AND USES THEREOF FOR TREATMENT OF ALZHEIMER'S DISEASE UNIVERSITY HEALTH NETWORK (CA) 2020-12-30 WO disclosed
WO-2020257940-A1 FUROSEMIDE ANALOGUES AND COMPOSITIONS AND USES THEREOF FOR TREATMENT OF ALZHEIMER'S DISEASE UNIVERSITY HEALTH NETWORK (CA) 2020-12-30 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-20220259167-A1 FUROSEMIDE ANALOGUES AND COMPOSITIONS AND USES THEREOF FOR TREATMENT OF ALZHEIMER'S DISEASE APP, AQP4, BACE1 CFTR 383/4885GAA 297/4885HPGD 1120/4885

“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.