SCHEMBL4082600

SCHEMBL4082600

COC(=O)CCc1cc(S(C)(=O)=O)cc(-c2nc(=O)c3ccc(Cl)cc3s2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.38
KDM4E B2RXH2 4/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
MCL1 Q07820 1/20 0.34
CCR9 P51686 2/20 0.33
TBXAS1 P24557 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
PPARA Q07869 2/20 0.33
PTGS2 P35354 1/20 0.32
RECQL P46063 1/20 0.32
AGPAT2 O15120 1/20 0.32

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
SCHEMBL4085450 0.91 KDM4E (0.36) KDM4ENPSR1CASP3SENP8SENP7
SCHEMBL4094700 0.90 POLB (0.33) KDM4EGAANPSR1RXFP1CASP3
SCHEMBL4094643 0.90 HDAC6 (0.42) RXFP1CASP3SENP8SENP7SENP6
SCHEMBL4087175 0.89 CASP3 (0.34) KDM4ECASP3SENP8SENP7SENP6
SCHEMBL13940269 0.89 MCL1 (0.31) KDM4ECASP3SENP8SENP7SENP6
Potassium Ion SCHEMBL4088703 0.88 MEN1 (0.33) KDM4EGAANPSR1RXFP1CASP3
SCHEMBL4093006 0.88 MEN1 (0.33) KDM4EGAANPSR1RXFP1CASP3
SCHEMBL4082987 0.86 CYP3A4 (0.31) KDM4EPTGS2
SCHEMBL4092707 0.86 MAPT (0.33) KDM4EGAACASP3SENP8SENP7
SCHEMBL4622103 0.86 LMNA (0.35) KDM4ECASP3SENP8SENP7SENP6

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
US-20090029975-A1 1,3-BENZOTHIAZINONE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-29 US 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 EGFR 4282/4885KDM4E 3212/4885GAA 3338/4885

“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.