SCHEMBL3605972

SCHEMBL3605972

N#Cc1cc(C(=O)O)sc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
GPR35 Q9HC97 3/20 0.41
DAO P14920 5/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
BCL2L1 Q07817 1/20 0.36
XDH P47989 2/20 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
SCHEMBL3610681 0.87 KDM4E (0.42) NOTUMKEAP1NFE2L2DAOALDH1A1
SCHEMBL12272939 0.85 ALDH1A1 (0.46) NOTUMKEAP1NFE2L2DAOALDH1A1
SCHEMBL12104561 0.78 PKM (0.49) GPR35DAOALDH1A1XDH
SCHEMBL7248344 0.78 DAO (0.57) NOTUMKEAP1NFE2L2GPR35DAO
SCHEMBL20894017 0.78 GSK3B (0.39) NOTUMGPR35DAOXDH
SCHEMBL3607622 0.74 GAA (0.42) NOTUMALDH1A1KDM4EMAPT
SCHEMBL21634045 0.74 DAO (0.41) NOTUMKEAP1NFE2L2GPR35DAO
SCHEMBL15362171 0.74 NOTUM (0.40) NOTUMKEAP1NFE2L2GPR35DAO
SCHEMBL741497 0.74 KEAP1 (0.71) NOTUMKEAP1NFE2L2GPR35DAO
SCHEMBL3816299 0.73 ALDH1A1 (0.44) NOTUMKEAP1NFE2L2GPR35DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119505204-A Multifunctional flame-retardant anti-dripping copolyester and preparation method and application thereof 四川大学 2025-02-25 CN disclosed
US-8835476-B2 Synthesis of novel antimicrobials WU FAN (CA) 2014-09-16 US disclosed
US-20100076028-A1 Design and Synthesis of Novel Antimicrobials WU FAN 2010-03-25 US disclosed
WO-2006092059-A1 DESIGN AND SYNTHESIS OF NOVEL ANTIMICROBIALS WU FAN (CA) 2006-09-08 WO 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 (1 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-20100076028-A1 Design and Synthesis of Novel Antimicrobials MLX, LPXN, TPX2 NOTUM 2646/4885KEAP1 3254/4885NFE2L2 3540/4885

“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.