SCHEMBL6607868

SCHEMBL6607868

O=C(Nc1[c]cccc1)c1ncco1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.41
CES1 P23141 4/20 0.39
NCEH1 Q6PIU2 1/20 0.38
HDAC3 O15379 9/20 0.37
HDAC4 P56524 9/20 0.37
HDAC1 Q13547 9/20 0.37
HDAC7 Q8WUI4 9/20 0.37
HDAC2 Q92769 9/20 0.37
HDAC10 Q969S8 9/20 0.37
HDAC11 Q96DB2 9/20 0.37
HDAC8 Q9BY41 9/20 0.37
HDAC6 Q9UBN7 9/20 0.37
HDAC9 Q9UKV0 9/20 0.37
HDAC5 Q9UQL6 9/20 0.37
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 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
SCHEMBL9779981 0.76 RAB9A (0.53) FAAHCES1NCEH1HDAC3HDAC4
SCHEMBL3759507 0.75 HDAC6 (0.51) CES1HDAC3HDAC4HDAC1HDAC7
SCHEMBL6607872 0.74 HDAC3 (0.42) FAAHCES1NCEH1HDAC3HDAC4
SCHEMBL6609769 0.74 RAB9A (0.58) NPC1CYP1A2RAB9ASMN1; SMN2
SCHEMBL27705691 0.74 FAAH (0.44) FAAHCES1NCEH1HDAC3HDAC4
SCHEMBL3759873 0.72 SMN1; SMN2 (0.41) NPC1RAB9ASMN1; SMN2
SCHEMBL429187 0.71 PTPN1 (0.48) HDAC3HDAC1HDAC7HDAC2HDAC8
SCHEMBL3759725 0.71 EGLN2 (0.49) NPC1RAB9A
SCHEMBL7361889 0.71 CASP3 (0.54) HDAC3HDAC1NPC1CYP1A2RAB9A
SCHEMBL5607153 0.70 LMNA (0.59) HDAC3HDAC1HDAC2HDAC6NPC1

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 claimed
EP-1423386-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP claimed
WO-2003022842-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-20 WO claimed

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 FAAH 1088/4885CES1 180/4885NCEH1 125/4885

“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.