SCHEMBL4096845

SCHEMBL4096845

CSc1cc[n+]([O-])c(CCC(=O)OC(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.31
STING1 Q86WV6 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL4099172 0.83 KDM4E (0.32) KDM4ESTING1ALDH1A1
SCHEMBL13199836 0.83 HDAC8 (0.35) KDM4ESTING1ALDH1A1
SCHEMBL13199715 0.77 ALDH1A1 (0.39) KDM4EALDH1A1
SCHEMBL8021888 0.73 MEN1 (0.43) KDM4EALDH1A1
SCHEMBL13200370 0.72 HDAC8 (0.35) STING1
SCHEMBL10982252 0.65 CYP4F2 (0.50) ALDH1A1
SCHEMBL13250321 0.64 CYP4F2 (0.49) ALDH1A1
SCHEMBL25364367 0.63 HDAC8 (0.44) KDM4E
SCHEMBL9896020 0.63 MTNR1A (0.43) KDM4EALDH1A1
SCHEMBL6209967 0.63 CYP4F2 (0.53) KDM4EALDH1A1

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 3212/4885STING1 362/4885ALDH1A1 134/4885

“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.