SCHEMBL3393407

SCHEMBL3393407

Cc1cccc2c1S(O)(O)N=C(CC(=O)O)N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PTGS2 P35354 3/20 0.34
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
SLC22A12 Q96S37 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
ABCB1 P08183 1/20 0.30
USP2 O75604 1/20 0.30
PARP1 P09874 1/20 0.30
PARP2 Q9UGN5 1/20 0.30
FFAR1 O14842 1/20 0.30
EGFR P00533 1/20 0.30
PDGFRB P09619 1/20 0.30
FGFR1 P11362 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
SCHEMBL3393400 0.86 ALDH1A1 (0.44) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL3395053 0.77 ALDH1A1 (0.48) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3391703 0.74 KDM4E (0.31) KDM4EGAAMAPTTDP1
SCHEMBL3390616 0.74 RAB9A (0.31) GAAALDH1A1
SCHEMBL6690666 0.72 ALDH1A1 (0.42) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL3393836 0.70 GRK6 (0.33) GAAMAPTMEN1KMT2AALDH1A1
SCHEMBL3393835 0.70 GRK6 (0.33) GAAMAPTMEN1KMT2AALDH1A1
SCHEMBL390919 0.68 ALDH1A1 (0.65) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3395055 0.67 AKR1C2 (0.43) KDM4EGAAMEN1KMT2AALDH1A1
SCHEMBL3392363 0.67 KDM4E (0.43) KDM4EMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1560827-B1 ANTI-INFECTIVE AGENTS ABBOTT LAB (US) 2010-12-29 EP disclosed
EP-1560827-A1 ANTI-INFECTIVE AGENTS Abbott Laboratories (US) 2005-08-10 EP disclosed
US-20050075331-A1 Anti-infective agents ABBOTT LABORATORIES 2005-04-07 US disclosed
US-20040167123-A1 Anti-infective agents ABBVIE INC. 2004-08-26 US disclosed
US-20040162285-A1 Anti-infective agents ABBOTT LABORATORIES 2004-08-19 US disclosed
WO-2004041818-A1 ANTI-INFECTIVE AGENTS ABBOTT LABORATORIES (US) 2004-05-21 WO disclosed
US-20040087577-A1 Anti-infective agents ABBOTT LABORATORIES 2004-05-06 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 (4 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-20040162285-A1 Anti-infective agents POLR1C, RPL5, POLB KDM4E 4352/4885GAA 172/4885MAPT 4106/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 KDM4E 4075/4885GAA 494/4885MAPT 4529/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT KDM4E 3897/4885GAA 167/4885MAPT 4234/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB KDM4E 4352/4885GAA 172/4885MAPT 4106/4885

“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.