SCHEMBL4508725

SCHEMBL4508725

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.46
ALDH1A1 P00352 4/20 0.46
GAA P10253 2/20 0.42
ABL1 P00519 1/20 0.41
MAPT P10636 3/20 0.40
MEN1 O00255 1/20 0.40
CASP3 P42574 1/20 0.40
KMT2A Q03164 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
PTGS2 P35354 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALPL P05186 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL363951 0.93 GAA (0.46) HPGDALDH1A1GAAABL1MAPT
SCHEMBL26236304 0.87 GAA (0.50) HPGDALDH1A1GAAABL1MAPT
SCHEMBL13698782 0.86 GAA (0.47) HPGDALDH1A1GAAABL1MAPT
SCHEMBL12683792 0.85 HPGD (0.51) HPGDALDH1A1GAAABL1MAPT
SCHEMBL19993672 0.85 MAPT (0.42) HPGDALDH1A1GAAMAPTCASP3
SCHEMBL16662001 0.85 GAA (0.51) HPGDALDH1A1GAAABL1MAPT
SCHEMBL18432300 0.83 GAA (0.46) HPGDALDH1A1GAAABL1MAPT
SCHEMBL1418414 0.83 PDGFRB (0.42) HPGDALDH1A1GAAMAPTCASP3
SCHEMBL14186809 0.83 MAPT (0.41) HPGDALDH1A1GAAMAPTCASP3
SCHEMBL9617792 0.82 CA12 (0.44) HPGDALDH1A1GAAABL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20090298894-A1 AMINO ACID COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2009-12-03 US disclosed
US-20090298894-A1 AMINO ACID COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2009-12-03 US disclosed
US-20090298894-A1 AMINO ACID COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2009-12-03 US disclosed
WO-2009131090-A1 AMINO ACID COMPOUND 旭化成ファーマ株式会社 (JP) 2009-10-29 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-20090298894-A1 AMINO ACID COMPOUNDS S1PR1, S1PR2, S1PR5 HPGD 4023/4885ALDH1A1 2990/4885GAA 4354/4885

“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.