SCHEMBL3916459

SCHEMBL3916459

CCCCS(=O)(=O)c1ccccc1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 5/20 0.49
CA12 O43570 4/20 0.49
CYP3A4 P08684 2/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
NR1I2 O75469 1/20 0.48
CHRM2 P08172 1/20 0.48
ADRA2A P08913 1/20 0.48
OPRK1 P41145 1/20 0.48
HTR2B P41595 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KMT2A Q03164 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
TSHR P16473 6/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
CA1 P00915 2/20 0.42

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
SCHEMBL3348471 0.95 CA12 (0.50) CA9CA12CYP3A4LMNAMAPT
SCHEMBL1355502 0.90 CA9 (0.46) CA9CA12CYP3A4LMNAMAPT
SCHEMBL12472341 0.85 CA12 (0.61) CA9CA12CYP3A4LMNAMEN1
SCHEMBL365842 0.84 TSHR (0.47) CA9CA12CYP3A4LMNAMAPT
SCHEMBL8067158 0.84 CA9 (0.59) CA9CA12CYP3A4LMNATSHR
SCHEMBL28581025 0.82 CYP3A4 (0.43) CA9CA12CYP3A4LMNAMAPT
SCHEMBL28233948 0.79 TSHR (0.47) CA9CA12CYP3A4LMNAMAPT
SCHEMBL8982627 0.79 CA12 (0.61) CA9CA12LMNATSHRCA1
SCHEMBL8982596 0.78 EPHX2 (0.48) CA9CA12CYP3A4LMNATSHR
SCHEMBL11329368 0.78 KDM4E (0.46) CA9CA12CYP3A4LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004502669-A 2004-01-29 JP claimed
EP-1353898-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-10-22 EP claimed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed
US-20240132431-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-04-25 US disclosed
US-7498436-B2 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY LLC (US) 2009-03-03 US disclosed
US-20060106256-A1 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY 2006-05-18 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 (2 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-20060106256-A1 Substituted hydroxyethylamines HNMT, PNMT, BCHE CA9 2808/4885CA12 2360/4885CYP3A4 459/4885
US-20240132431-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP MGMT, MCL1, FANCF CA9 98/4885CA12 57/4885CYP3A4 494/4885

“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.