SCHEMBL3391857

SCHEMBL3391857

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.37
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NPC1 O15118 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
GLA P06280 1/20 0.37
TNNI3 P19429 1/20 0.37
TNNT2 P45379 1/20 0.37
TNNC1 P63316 1/20 0.37
RUNX1 Q01196 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
SCHEMBL1523837 0.78 MAOA (0.39) MAOACA12CA1CA2CA9
SCHEMBL3395053 0.74 ALDH1A1 (0.48) CA12CA1CA2CA9LMNA
SCHEMBL27649553 0.74 LMNA (0.44) MAOACA12CA1CA2CA9
SCHEMBL3389375 0.71 CA2 (0.40) CA12CA1CA2CA9LMNA
SCHEMBL9038242 0.65 MYC (0.52) GAAKDM4EMEN1KMT2ANPC1
SCHEMBL3394006 0.64 AGBL2 (0.33) GAAKDM4EMEN1KMT2AMAPT
SCHEMBL28627643 0.63 EGFR (0.57) CA12CA1CA2CA9GAA
SCHEMBL10814976 0.63 NR1H4 (0.62) GAAKDM4EMEN1KMT2ANPC1
SCHEMBL3981200 0.63 KMT2A (0.45) CA12CA1CA2CA9GAA
SCHEMBL3981152 0.63 PTGDR2 (0.47) CA12CA1CA2CA9GAA

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 1802/4885CA12 4101/4885CA1 4367/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 MAOA 2475/4885CA12 4557/4885CA1 4607/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT MAOA 2273/4885CA12 4493/4885CA1 4765/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB MAOA 1802/4885CA12 4101/4885CA1 4367/4885

“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.