SCHEMBL4099172

SCHEMBL4099172

CC(C)(C)OC(=O)CCc1cc(Cl)cc[n+]1[O-]

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
STING1 Q86WV6 1/20 0.32
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
NR1D1 P20393 1/20 0.31
NR1H3 Q13133 1/20 0.31
IDO1 P14902 2/20 0.31
HDAC8 Q9BY41 1/20 0.31
EGFR P00533 1/20 0.30
GAA P10253 1/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL13199836 0.86 HDAC8 (0.35) KDM4EALDH1A1STING1HDAC8MTNR1A
SCHEMBL4096845 0.83 KDM4E (0.31) KDM4EALDH1A1STING1
SCHEMBL13199715 0.80 ALDH1A1 (0.39) KDM4EALDH1A1KMT2AMTNR1AMTNR1B
SCHEMBL13200370 0.75 HDAC8 (0.35) STING1NR1H3HDAC8MTNR1AMTNR1B
SCHEMBL1249462 0.71 STS (0.39) ALDH1A1STING1KMT2AHDAC8GAA
SCHEMBL4089798 0.70 MAPT (0.38) ALDH1A1LMNAKMT2AHDAC8EGFR
SCHEMBL21060539 0.70 MEN1 (0.42) KDM4EALDH1A1LMNAKMT2AGAA
SCHEMBL29562190 0.70 MEN1 (0.42) KDM4EALDH1A1LMNAKMT2AGAA
SCHEMBL10982252 0.68 CYP4F2 (0.50) ALDH1A1KMT2ANR1H3MTNR1AMTNR1B
SCHEMBL13303889 0.67 IDO1 (0.35) KDM4EALDH1A1STING1KMT2AIDO1

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 KDM4E 3212/4885ALDH1A1 134/4885STING1 362/4885

“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.