SCHEMBL4089798

SCHEMBL4089798

CC(C)(C)OC(=O)CCc1cc(Cl)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 2/20 0.37
PRNP P04156 1/20 0.37
POLB P06746 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
FPR2 P25090 1/20 0.36
SREBF2 Q12772 1/20 0.36
ATR Q13535 1/20 0.36
IDE P14735 2/20 0.35
MEN1 O00255 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
NR4A2 P43354 1/20 0.34
AAK1 Q2M2I8 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL31059858 0.85 MAPT (0.40) MAPTALDH1A1L3MBTL1KMT2APRNP
SCHEMBL12814648 0.85 MAPT (0.40) MAPTALDH1A1L3MBTL1KMT2APRNP
SCHEMBL13199835 0.84 HDAC8 (0.39) MAPTALDH1A1KMT2APOLBSREBF2
SCHEMBL4082835 0.81 CYP4F2 (0.45) MAPTALDH1A1L3MBTL1KMT2APOLB
SCHEMBL233384 0.78 CYP1A2 (0.51) ALDH1A1KMT2APOLBMEN1LMNA
SCHEMBL31059650 0.77 ALDH1A1 (0.36) MAPTALDH1A1L3MBTL1KMT2APRNP
SCHEMBL30405680 0.77 NR4A2 (0.49) MAPTALDH1A1L3MBTL1PRNPRXFP1
SCHEMBL30622094 0.77 TRPA1 (0.45) MAPTALDH1A1SREBF2ATRAAK1
SCHEMBL10547182 0.76 ATR (0.46) L3MBTL1ATR
SCHEMBL29634114 0.76 ATR (0.46) L3MBTL1ATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029975-A1 1,3-BENZOTHIAZINONE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-29 US disclosed
EP-1897880-A1 1,3-BENZOTHIAZINONE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-03-12 EP 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-20090029975-A1 1,3-BENZOTHIAZINONE DERIVATIVE AND USE THEREOF MIF, CCL2, MSR1 MAPT 4755/4885ALDH1A1 134/4885L3MBTL1 426/4885

“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.