SCHEMBL3281875

SCHEMBL3281875

O=C(O)n1ccc2ccc(S(=O)(=O)NC3CC3)cc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARG Q86W56 4/20 0.50
▸ PIK3CG P48736 1/20 0.50
▸ ALDH1A1 P00352 6/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ CACNA1B Q00975 1/20 0.47
▸ APBA1 Q02410 1/20 0.47
▸ TAS2R14 Q9NYV8 1/20 0.45
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ CCR8 P51685 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ RECQL P46063 1/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ IDH2 P48735 1/20 0.40
▸ BRAF P15056 1/20 0.40

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
SCHEMBL2097769 0.68 KMT2A (0.65) PARGALDH1A1KMT2ACCR8SMN1; SMN2
SCHEMBL3683615 0.67 KMT2A (0.69) PARGALDH1A1KDM4ELMNAKMT2A
SCHEMBL3282678 0.67 PARG (0.50) PARGPIK3CGALDH1A1KDM4ELMNA
SCHEMBL3714618 0.65 KMT2A (0.52) PARGALDH1A1KDM4ELMNAMAPT
SCHEMBL3721741 0.65 LMNA (0.63) ALDH1A1KDM4ELMNAMAPK1KMT2A
SCHEMBL13543498 0.64 KMT2A (0.68) LMNAMAPTKMT2ATDP1
SCHEMBL4753808 0.64 LMNA (0.56) ALDH1A1LMNAMAPTMAPK1KMT2A
SCHEMBL13633889 0.64 ALDH1A1 (1.00) PARGPIK3CGALDH1A1KDM4ELMNA
Bicarbonate SCHEMBL11358602 0.64 ALDH1A1 (0.82) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL516423 0.64 LMNA (0.47) PARGPIK3CGALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709500-B2 Chemical compounds ASTRAZENECA AB (SE) 2010-05-04 — — US disclosed
US-20050107428-A1 Chemical compounds ASTRAZENECA AB (SE) 2005-05-19 — — 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-20050107428-A1 Chemical compounds CCR10, CCR3, CXCR5 PARG 4707/4885PIK3CG 3709/4885ALDH1A1 3120/4885

“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.

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