SCHEMBL4096951

SCHEMBL4096951

CCOC(=O)/C=C/c1cc(Cl)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.47
DPP4 P27487 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
MAPT P10636 6/20 0.45
ALDH1A1 P00352 4/20 0.45
CYP3A4 P08684 1/20 0.45
FDPS P14324 1/20 0.44
MAOB P27338 1/20 0.43
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
XPO1 O14980 1/20 0.40
NPC1 O15118 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
SCHEMBL4096954 1.00 TTR (0.47) TTRDPP4CA12CA1CA2
SCHEMBL457578 0.85 TTR (0.49) TTRDPP4CA12CA1CA2
SCHEMBL457579 0.85 TTR (0.49) TTRDPP4CA12CA1CA2
SCHEMBL29302292 0.84 TTR (0.43) TTRCA12CA1CA2CA7
SCHEMBL29136981 0.84 TTR (0.43) TTRCA12CA1CA2CA7
SCHEMBL17054008 0.83 TTR (0.47) TTRDPP4CA12CA1CA2
SCHEMBL22186887 0.83 TTR (0.47) TTRDPP4CA12CA1CA2
SCHEMBL29403887 0.83 TTR (0.47) TTRDPP4CA12CA1CA2
SCHEMBL4082454 0.80 XPO1 (0.46) MAPTALDH1A1CYP3A4L3MBTL1XPO1
SCHEMBL16126124 0.80 CA12 (0.47) TTRDPP4CA12CA1CA2

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 3 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
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 TTR 3788/4885DPP4 1738/4885CA12 4578/4885

“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.