SCHEMBL6342111

SCHEMBL6342111

CC(=Cc1cc2c(s1)-c1ccccc1Sc1ccccc1-2)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.41
APEX1 P27695 8/20 0.40
NOX1 Q9Y5S8 1/20 0.39
CYP3A4 P08684 1/20 0.37
HTT P42858 1/20 0.37
TBXAS1 P24557 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NOTUM Q6P988 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
LMNA P02545 2/20 0.34
PLEC Q15149 1/20 0.34
BCHE P06276 1/20 0.33
PTGS2 P35354 1/20 0.33
OPRK1 P41145 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL6342107 1.00 AKR1C3 (0.41) AKR1C3APEX1NOX1CYP3A4HTT
SCHEMBL6333986 0.80 AKR1C3 (0.41) AKR1C3APEX1HTTTBXAS1NOTUM
SCHEMBL6333991 0.80 AKR1C3 (0.41) AKR1C3APEX1HTTTBXAS1NOTUM
SCHEMBL1822659 0.77 AKR1C3 (0.46) AKR1C3APEX1HTTTBXAS1MAPT
SCHEMBL1822661 0.77 AKR1C3 (0.46) AKR1C3APEX1HTTTBXAS1MAPT
SCHEMBL6342108 0.74 CA12 (0.39) CYP3A4HTTMEN1KMT2ACYP1A2
SCHEMBL1823826 0.71 HPGD (0.49) AKR1C3APEX1HTTTBXAS1MAPT
SCHEMBL1822654 0.71 AKR1C3 (0.46) AKR1C3APEX1TBXAS1
SCHEMBL1823823 0.71 HPGD (0.49) AKR1C3APEX1HTTTBXAS1MAPT
SCHEMBL1822653 0.71 AKR1C3 (0.46) AKR1C3APEX1TBXAS1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030153750-A1 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors PLIVA FARMACEUTSKA INDUSTRIJA, DIONICKO DRUSTVO 2003-08-14 US claimed
US-20050171091-A1 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors PLIVA D.D. (HR) 2005-08-04 US disclosed
US-6897211-B2 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-05-24 US disclosed
US-20030153750-A1 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors PLIVA FARMACEUTSKA INDUSTRIJA, DIONICKO DRUSTVO 2003-08-14 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 (2 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-20030153750-A1 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors TNF, IL1B, IL1A AKR1C3 362/4885APEX1 2495/4885NOX1 751/4885
US-20050171091-A1 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors TNF, IL1B, IL1A AKR1C3 381/4885APEX1 2783/4885NOX1 824/4885

“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.