SCHEMBL3390541

SCHEMBL3390541

COc1cccc2c1NC(CC(=O)O)=NS2(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
POLB P06746 3/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
CXCR2 P25025 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR1A P08908 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL3390545 0.87 LMNA (0.38) ALDH1A1POLBMAPK1HSD17B10KDM4E
SCHEMBL6690666 0.80 ALDH1A1 (0.42) ALDH1A1POLBMAPK1HSD17B10KDM4E
SCHEMBL1522527 0.77 HSD17B10 (0.37) ALDH1A1POLBMAPK1HSD17B10KDM4E
SCHEMBL8286607 0.76 CA12 (0.53) ALDH1A1POLBMAPK1HSD17B10KDM4E
SCHEMBL6687177 0.75 GAA (0.35) ALDH1A1HSD17B10KDM4EHPGDCXCR2
SCHEMBL390919 0.74 ALDH1A1 (0.65) ALDH1A1POLBMAPK1CA12CA1
SCHEMBL3392351 0.72 MAPT (0.46) ALDH1A1POLBHSD17B10KDM4ECA12
SCHEMBL3393400 0.67 ALDH1A1 (0.44) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL4649502 0.66 CXCR2 (0.69) CXCR2
SCHEMBL8683168 0.65 CA12 (0.55) ALDH1A1POLBMAPK1HSD17B10KDM4E

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 ALDH1A1 1434/4885POLB 3/4885MAPK1 1456/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 ALDH1A1 891/4885POLB 35/4885MAPK1 739/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT ALDH1A1 1592/4885POLB 19/4885MAPK1 2328/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB ALDH1A1 1434/4885POLB 3/4885MAPK1 1456/4885

“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.