SCHEMBL6275367

SCHEMBL6275367

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
ABCC9 O60706 1/20 0.35
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
KCNJ8 Q15842 1/20 0.35
TSHR P16473 2/20 0.35
HAAO P46952 1/20 0.34
HSD11B1 P28845 1/20 0.34
MYC P01106 4/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
RECQL P46063 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 1/20 0.33
NR4A1 P22736 1/20 0.33
KMT2A Q03164 1/20 0.33
ESR2 Q92731 1/20 0.33
CYP1A2 P05177 1/20 0.32

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
SCHEMBL16021173 0.80 CA9 (0.46) CA2CA9ABCC9ABCC8KCNJ11
SCHEMBL7780123 0.75 CA2 (0.36) CA2CA9ABCC9ABCC8KCNJ11
SCHEMBL7760554 0.73 CA9 (0.44) CA2CA9ABCC9ABCC8KCNJ11
SCHEMBL8602268 0.71 CA12 (0.43) CA2CA9MEN1KMT2ACYP1A2
SCHEMBL8134119 0.69 PTK2 (0.35) CA2HAAOCYP1A2ALDH1A1
SCHEMBL31389208 0.67 CYP1A2 (0.58) CA2CA9TSHRHAAOMYC
SCHEMBL128319 0.67 CYP1A2 (0.58) CA2CA9TSHRHAAOMYC
SCHEMBL8131333 0.67 RXRA (0.32) RECQLMEN1KMT2A
Ammonia Solution, Strong SCHEMBL29137499 0.65 CYP1A2 (0.55) CA2CA9TSHRHAAOMYC
SCHEMBL7619023 0.63 CYP1A2 (0.34) TSHRHAAOMYCPOLBMAPT

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 6 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
US-5744425-A POSTEMERGENCE, PREEMERGENCE HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-04-28 US disclosed
US-5723415-A AGRICULTURAL HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-03-03 US disclosed
US-5716905-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-02-10 US disclosed
US-5716906-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-02-10 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 (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 635/4885ABCC9 4008/4885

“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.