SCHEMBL29311487

SCHEMBL29311487

O=c1ccc(OC(F)F)cn1SS

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 2/20 0.41
ATM Q13315 2/20 0.41
LMNA P02545 1/20 0.41
HSP90AA1 P07900 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
CCR6 P51684 1/20 0.41
DRD1 P21728 1/20 0.35
ALOX15 P16050 1/20 0.34
GFER P55789 1/20 0.34
ADAM17 P78536 1/20 0.34
MAT2A P31153 1/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MAPT P10636 1/20 0.31
DAO P14920 1/20 0.31
REN P00797 1/20 0.30

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
SCHEMBL29311492 0.77 CA1 (0.37) ALDH1A1MEN1KMT2AHTTLMNA
SCHEMBL29313891 0.73 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AHTTATM
SCHEMBL27253823 0.70 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AHTTATM
SCHEMBL29311474 0.66 MAPT (0.35) ALDH1A1MAPT
SCHEMBL11065049 0.65 DRD1 (0.56) ALDH1A1MEN1KMT2AHTTATM
SCHEMBL29311478 0.64 DRD1 (0.33) ALDH1A1MEN1KMT2AHTTATM
SCHEMBL29311463 0.62 GSK3B (0.32) ALDH1A1
SCHEMBL19231301 0.60 BRPF1 (0.47) ALDH1A1MEN1KMT2AHTTATM
SCHEMBL2211626 0.60 DRD1 (0.47) ALDH1A1MEN1KMT2AHTTATM
SCHEMBL2644146 0.60 DRD1 (0.52) ALDH1A1MEN1KMT2AHTTATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228469-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-07-11 US 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-20240228469-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF PCSK9, PCSK7, PCSK6 ALDH1A1 3112/4885MEN1 258/4885KMT2A 3367/4885

“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.