SCHEMBL3390545

SCHEMBL3390545

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
ALDH1A1 P00352 5/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
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
POLB P06746 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 4/20 0.34
TSHR P16473 2/20 0.34
NFKB1 P19838 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPK1 P28482 1/20 0.32
STING1 Q86WV6 1/20 0.32
MEN1 O00255 2/20 0.32

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
SCHEMBL3390541 0.87 ALDH1A1 (0.42) LMNAALDH1A1HSD17B10KDM4EHPGD
SCHEMBL3395053 0.74 ALDH1A1 (0.48) LMNAALDH1A1CA12CA1CA2
SCHEMBL3392363 0.72 KDM4E (0.43) LMNAHSD17B10KDM4ECA12CA1
SCHEMBL6690666 0.72 ALDH1A1 (0.42) LMNAALDH1A1HSD17B10KDM4EHPGD
SCHEMBL6687177 0.68 GAA (0.35) LMNAALDH1A1HSD17B10KDM4EHPGD
SCHEMBL1522527 0.67 HSD17B10 (0.37) LMNAALDH1A1HSD17B10KDM4EHPGD
SCHEMBL8683168 0.65 CA12 (0.55) LMNAALDH1A1HSD17B10KDM4EHPGD
SCHEMBL8286607 0.65 CA12 (0.53) LMNAALDH1A1HSD17B10KDM4ECA12
SCHEMBL3394006 0.63 AGBL2 (0.33) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL390919 0.62 ALDH1A1 (0.65) LMNAALDH1A1CA12CA1CA2

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
EP-1560827-B1 ANTI-INFECTIVE AGENTS ABBOTT LAB (US) 2010-12-29 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
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 LMNA 3232/4885ALDH1A1 1434/4885HSD17B10 1232/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 LMNA 4000/4885ALDH1A1 891/4885HSD17B10 1422/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT LMNA 4225/4885ALDH1A1 1592/4885HSD17B10 1335/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB LMNA 3232/4885ALDH1A1 1434/4885HSD17B10 1232/4885

“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.