SCHEMBL4082835

SCHEMBL4082835

CCOC(=O)CCc1cc(Cl)ccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.45
CYP4A11 Q02928 2/20 0.45
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
IDE P14735 1/20 0.42
GAA P10253 1/20 0.41
EGFR P00533 1/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
SYK P43405 1/20 0.40

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
SCHEMBL16737338 0.85 CYP4F2 (0.45) CYP4F2CYP4A11MAPTALDH1A1GAA
SCHEMBL19915712 0.85 MAPT (0.46) NOS1NOS2MAPTALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL7766639 0.83 CYP4F2 (0.47) CYP4F2CYP4A11MAPTALDH1A1GAA
SCHEMBL12845663 0.82 KDM5B (0.42) NOS1NOS2MAPTALDH1A1GAA
SCHEMBL7768406 0.82 CYP4F2 (0.53) CYP4F2CYP4A11MAPTALDH1A1GAA
SCHEMBL22166068 0.82 TNF (0.46) CYP4F2CYP4A11MAPTALDH1A1GAA
SCHEMBL10743352 0.81 NOS1 (0.48) CYP4F2CYP4A11NOS1NOS2ALDH1A1
SCHEMBL4089798 0.81 MAPT (0.38) MAPTALDH1A1L3MBTL1IDEEGFR
SCHEMBL7676108 0.79 CYP4F2 (0.45) CYP4F2CYP4A11MAPTALDH1A1L3MBTL1
SCHEMBL2771208 0.79 L3MBTL1 (0.53) CYP4F2CYP4A11MAPTALDH1A1L3MBTL1

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
US-20090029975-A1 1,3-BENZOTHIAZINONE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-29 US disclosed
US-20090029975-A1 1,3-BENZOTHIAZINONE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-29 US disclosed
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 CYP4F2 307/4885CYP4A11 513/4885NOS1 119/4885

“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.