SCHEMBL6606360

SCHEMBL6606360

CN(C)C(=O)c1ccc(-c2ccc(B(O)OC(C)(C)C(C)(C)O)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC4 P56524 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
PDK2 Q15119 1/20 0.36
CYP3A4 P08684 4/20 0.35
CYP1A2 P05177 3/20 0.35
CLK4 Q9HAZ1 2/20 0.35
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.35
CSNK2A1 P68400 1/20 0.35
EPHX2 P34913 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
MAPT P10636 1/20 0.35
LRRK2 Q5S007 1/20 0.34
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL6843044 0.84 MAPT (0.43) HPGDSMN1; SMN2MMP2MMP9MMP8
SCHEMBL6612175 0.83 MKNK1 (0.39) ERN1ALDH1A1KMT2A
SCHEMBL6610483 0.81 HPGD (0.41) HPGDSMN1; SMN2HDAC4PDK2EPHX2
SCHEMBL135488 0.79 TP53 (0.40) ALDH1A1HPGDSMN1; SMN2EPHX2NR1H4
SCHEMBL1832033 0.78 PARP10 (0.41) ALDH1A1CYP3A4CYP2C9EPHX2NR1H4
SCHEMBL15225532 0.77 MGLL (0.47) SMN1; SMN2LMNACYP2C9MAPT
SCHEMBL6609673 0.77 ESR1 (0.38) ERN1HPGDCYP3A4LMNAMEN1
SCHEMBL473743 0.77 CA1 (0.44) ALDH1A1HPGDMAPTKDM4EMEN1
SCHEMBL6840781 0.76 SCN9A (0.47)
SCHEMBL16277904 0.75 CA12 (0.42) ALDH1A1TDP1ALOX15HSD17B10

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-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-30 US disclosed
EP-1423386-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP disclosed
WO-2003022842-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-20 WO 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-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors TNF, MMP9, MMP1 ERN1 2395/4885ALDH1A1 440/4885HPGD 163/4885

“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.