SCHEMBL4932496

SCHEMBL4932496

CCC(CC(=O)OC)NCc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
CA12 O43570 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
CA2 P00918 1/20 0.47
HPGD P15428 3/20 0.47
TSHR P16473 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 2/20 0.43
EPHX2 P34913 1/20 0.41
PPARG P37231 1/20 0.41
LMNA P02545 2/20 0.40
KLK7 P49862 1/20 0.40
POLB P06746 1/20 0.39
FAAH O00519 1/20 0.39

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
SCHEMBL4932488 1.00 TDP1 (0.50) TDP1CA12CA7CA9CA14
SCHEMBL4852847 0.85 DPP7 (0.50) TDP1HPGDALDH1A1MAPTHTT
SCHEMBL4856268 0.85 PKM (0.48) ALDH1A1HTTEPHX2PPARGLMNA
SCHEMBL8996549 0.85 KMT2A (0.44) CA12CA7CA9CA14CA2
SCHEMBL8996651 0.85 KMT2A (0.44) CA12CA7CA9CA14CA2
SCHEMBL4855282 0.85 KMT2A (0.44) CA12CA7CA9CA14CA2
SCHEMBL14034567 0.85 TDP1 (0.53) TDP1HPGDTSHRALDH1A1HTT
SCHEMBL16839707 0.85 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AEPHX2PPARG
SCHEMBL4854203 0.83 CA12 (0.51) CA12CA7CA9CA14CA2
SCHEMBL4851286 0.82 HPGD (0.53) CA12CA7CA9CA14CA2

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
US-20080292588-A1 1-METHYL-BENZO[1,2,4]THIADIAZINE 1-OXIDE DERIVATIVES ANADYS PHARMACEUTICALS, INC. (US) 2008-11-27 US disclosed
WO-2008144500-A2 1-METHYL-BENZO[1,2,4]THIADIAZINE, 1-OXIDE DERIVATIVES ANADYS PHARMACEUTICALS, INC. (US) 2008-11-27 WO disclosed
WO-2008144500-A2 1-METHYL-BENZO[1,2,4]THIADIAZINE, 1-OXIDE DERIVATIVES ANADYS PHARMACEUTICALS, INC. (US) 2008-11-27 WO disclosed
US-20080292588-A1 1-METHYL-BENZO[1,2,4]THIADIAZINE 1-OXIDE DERIVATIVES ANADYS PHARMACEUTICALS, INC. (US) 2008-11-27 US disclosed
US-20080292588-A1 1-METHYL-BENZO[1,2,4]THIADIAZINE 1-OXIDE DERIVATIVES ANADYS PHARMACEUTICALS, INC. (US) 2008-11-27 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 (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-20080292588-A1 1-METHYL-BENZO[1,2,4]THIADIAZINE 1-OXIDE DERIVATIVES CYP1B1, CYP2E1, DAZAP1 TDP1 1664/4885CA12 4504/4885CA7 4534/4885

“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.