SCHEMBL5430769

SCHEMBL5430769

Cc1cc(Cl)nc2cc(OS(C)(=O)=O)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 5/20 0.49
GAA P10253 1/20 0.49
ALPL P05186 4/20 0.46
ALPI P09923 2/20 0.46
HPGD P15428 2/20 0.43
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
HIF1A Q16665 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A2 O94788 1/20 0.38
ALDH1B1 P30837 1/20 0.38
ALDH1A3 P47895 1/20 0.38
MAPT P10636 1/20 0.36
CA2 P00918 1/20 0.36
STS P08842 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 2/20 0.36

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
SCHEMBL5432985 0.82 ALDH1A1 (0.49) ALDH1A1KDM4EGAAALPLALPI
SCHEMBL5427929 0.80 KDM4E (0.52) ALDH1A1KDM4EHPGDCYP2C19CYP3A4
SCHEMBL5433545 0.76 KDM4E (0.46) ALDH1A1KDM4EGAAHPGDCYP2C19
SCHEMBL8601685 0.75 ALPL (0.42) ALDH1A1KDM4EGAAALPLALPI
SCHEMBL5442191 0.75 KDM4E (0.42) ALDH1A1KDM4EGAAHPGDCYP2C19
SCHEMBL5798135 0.72 KDM4E (0.49) ALDH1A1KDM4EHPGDCYP2C19POLB
SCHEMBL8936155 0.72 POLB (0.72) ALDH1A1KDM4ECYP2C19CYP3A4HIF1A
SCHEMBL3420261 0.72 POLB (0.52) ALDH1A1KDM4ECYP2C19CYP3A4HIF1A
SCHEMBL28616310 0.71 ALPL (0.37) ALDH1A1KDM4EGAAALPLALPI
SCHEMBL7979793 0.71 ALPL (0.48) ALDH1A1KDM4EGAAALPLALPI

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-20070185079-A1 Therapeutic agents I ASTRAZENECA AB (SE) 2007-08-09 US disclosed
EP-1706384-A1 THERAPEUTIC AGENTS I AstraZeneca AB (SE) 2006-10-04 EP disclosed
WO-2005066132-A1 THERAPEUTIC AGENTS I ASTRAZENECA AB (SE) 2005-07-21 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-20070185079-A1 Therapeutic agents I HTT, GRIN2A, GRIN1 ALDH1A1 1661/4885KDM4E 2659/4885GAA 8/4885

“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.