SCHEMBL3391846

SCHEMBL3391846

CC(=O)Nc1ccc2c(c1)NC(CC(=O)O)=NS2(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.43
ALDH1A1 P00352 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
LMNA P02545 3/20 0.39
TP53 P04637 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
GAA P10253 1/20 0.38
RECQL P46063 1/20 0.38
MAPT P10636 3/20 0.37
THRB P10828 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
GLA P06280 1/20 0.37
TNNI3 P19429 1/20 0.37
TNNT2 P45379 1/20 0.37

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
SCHEMBL3391857 0.88 MAOA (0.41) MAOACA12CA1CA2CA9
SCHEMBL27649553 0.85 LMNA (0.44) MAOAALDH1A1CA12CA1CA2
SCHEMBL390919 0.74 ALDH1A1 (0.65) ALDH1A1CA12CA1CA2CA9
SCHEMBL49931 0.74 ALDH1A1 (0.41) MAOAALDH1A1LMNATP53RECQL
SCHEMBL14338091 0.73 ALDH1A1 (0.47) ALDH1A1CA12CA1CA2CA9
SCHEMBL1523837 0.68 MAOA (0.39) MAOACA12CA1CA2CA9
Ether SCHEMBL6234273 0.68 ALDH1A1 (0.42) ALDH1A1CA12CA1CA2CA9
SCHEMBL3393385 0.66 ALDH1A1 (0.48) ALDH1A1LMNARECQLMAPTTHRB
SCHEMBL7950884 0.66 MAOA (0.52) MAOAALDH1A1CA12CA1CA2
SCHEMBL3393400 0.65 ALDH1A1 (0.44) ALDH1A1CA12CA1CA2CA9

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 MAOA 1802/4885ALDH1A1 1434/4885CA12 4101/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 MAOA 2475/4885ALDH1A1 891/4885CA12 4557/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT MAOA 2273/4885ALDH1A1 1592/4885CA12 4493/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB MAOA 1802/4885ALDH1A1 1434/4885CA12 4101/4885

“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.