SCHEMBL3245441

SCHEMBL3245441

O=C(Cl)c1cccc(OCCCF)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
PRSS1 P07477 9/20 0.49
SMPD1 P17405 3/20 0.47
F2 P00734 1/20 0.45
PLG P00747 1/20 0.45
PRSS2 P07478 1/20 0.45
C1S P09871 1/20 0.45
PRSS3 P35030 1/20 0.45
PLA2G4B P0C869 1/20 0.44

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
SCHEMBL11422303 0.88 PRSS1 (0.60) KMT2APRSS1SMPD1PLA2G4B
SCHEMBL3243431 0.85 KMT2A (0.69) KMT2APRSS1PLA2G4B
SCHEMBL27674694 0.85 NR4A2 (0.46) KMT2ASMPD1
SCHEMBL5202638 0.84 KMT2A (0.62) KMT2ASMPD1PLA2G4B
SCHEMBL5499950 0.83 KMT2A (0.53) KMT2APRSS1SMPD1F2PLG
SCHEMBL8465014 0.83 SMPD1 (0.68) KMT2APRSS1SMPD1PLA2G4B
SCHEMBL3487082 0.83 KMT2A (0.53) KMT2APRSS1SMPD1F2PLG
SCHEMBL5200730 0.82 KMT2A (0.73) KMT2ASMPD1PLA2G4B
SCHEMBL7843724 0.82 KMT2A (0.51) KMT2APRSS1SMPD1F2PLG
SCHEMBL28693694 0.82 KMT2A (0.69) KMT2APRSS1PLA2G4B

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
US-20100125087-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
WO-2010056195-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 WO disclosed
US-20100125087-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
US-20100125087-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
WO-2010056195-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 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-20100125087-A1 NEW COMPOUNDS 575 PSEN1, PSEN2, BACE1 KMT2A 3888/4885PRSS1 385/4885SMPD1 314/4885

“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.