SCHEMBL6608877

SCHEMBL6608877

Cc1nc(-c2ccc(B(O)OC(C)(C)C(C)(C)O)cc2)cs1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.45
GAA P10253 4/20 0.45
KDM4E B2RXH2 3/20 0.45
POLB P06746 2/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
RECQL P46063 2/20 0.43
HPGD P15428 2/20 0.43
ESR2 Q92731 1/20 0.43
GFER P55789 1/20 0.42
NPC1 O15118 7/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39

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
SCHEMBL1955446 0.79
SCHEMBL6609892 0.77 SCN9A (0.34)
SCHEMBL16334163 0.76 KIF11 (0.42) KDM4EMAPTSMN1; SMN2
SCHEMBL3681691 0.73 CA2 (0.45) ALDH1A1MEN1KMT2A
SCHEMBL6609673 0.72 ESR1 (0.38) HPGDESR2MEN1KMT2A
SCHEMBL15225532 0.72 MGLL (0.47) GAAHTTMAPTNPC1SMN1; SMN2
SCHEMBL6609827 0.72 GPR119 (0.38)
SCHEMBL19433226 0.71 CA2 (0.42)
SCHEMBL6607651 0.71 ERN1 (0.38)
SCHEMBL6607392 0.71 ATM (0.35)

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 RAB9A 2863/4885GAA 364/4885KDM4E 2400/4885

“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.