SCHEMBL6275401

SCHEMBL6275401

Cc1c(Br)ccc2c1C(=O)N(C)S2(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
ACE2 Q9BYF1 1/20 0.33
HSD11B1 P28845 1/20 0.33
ABCC9 O60706 1/20 0.32
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
KCNJ8 Q15842 1/20 0.32
ELANE P08246 1/20 0.30

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
SCHEMBL7779967 0.73 CA2 (0.38) CA2CA9ACE2HSD11B1ABCC9
SCHEMBL7780123 0.71 CA2 (0.36) CA2CA9HSD11B1ABCC9ABCC8
SCHEMBL31568288 0.69 PDE3B (0.36) CA2CA9
SCHEMBL22226932 0.67 CA9 (0.58) CA2CA9ACE2HSD11B1ABCC9
SCHEMBL29700287 0.66 CA2 (0.40) CA2CA9ACE2ABCC9ABCC8
SCHEMBL17097221 0.63 CA9 (0.58) CA2CA9ACE2ABCC9ABCC8
SCHEMBL14397033 0.62 CA12 (0.33) CA2CA9
SCHEMBL12292087 0.62 CA12 (0.33) CA2CA9
SCHEMBL21527809 0.61 CA2 (0.46) CA2CA9ACE2ABCC9ABCC8
SCHEMBL29700002 0.61 CA2 (0.32) CA2CA9

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-6903221-B2 Method for producing β-ketoenol esters BASF AKTIENGESELLSCHAFT (DE) 2005-06-07 US disclosed
US-20030191318-A1 Method for producing beta ketoenol esters BASF AKTIENGESELLSCHAFT (DE) 2003-10-09 US disclosed
EP-1311469-A1 METHOD FOR PRODUCING BETA- KETOENOL ESTERS BASF AKTIENGESELLSCHAFT (DE) 2003-05-21 EP disclosed
WO-2002016305-A1 METHOD FOR PRODUCING β KETOENOL ESTERS BASF AKTIENGESELLSCHAFT (DE) 2002-02-28 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-20030191318-A1 Method for producing beta ketoenol esters HSD17B7, AKR1B1, AKR1A1 CA2 420/4885CA9 635/4885ACE2 2411/4885

“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.