SCHEMBL4159565

SCHEMBL4159565

CS(=O)(=O)c1cccc(-c2ccc3[nH]c(=O)c4[nH]cc(C5(C(=O)O)CCCC5)c4c3c2)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 2/20 0.39
FASN P49327 1/20 0.37
PDPK1 O15530 1/20 0.36
RXRA P19793 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
WEE1 P30291 1/20 0.33
PLK4 O00444 1/20 0.33
PTGS2 P35354 7/20 0.32
PTGS1 P23219 1/20 0.32
BACE1 P56817 1/20 0.32
JAK1 P23458 2/20 0.32
TYK2 P29597 2/20 0.32
TTK P33981 1/20 0.31
MAP3K5 Q99683 1/20 0.31
SCD O00767 1/20 0.31

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
SCHEMBL3242761 0.82 CAMKK2 (0.46) CAMKK2FASNPDPK1WEE1PTGS2
SCHEMBL4166124 0.78 AKR1C1 (0.31)
SCHEMBL4160382 0.78 AKR1C1 (0.40)
SCHEMBL4155339 0.78 CAMKK2 (0.40) CAMKK2FASNPDPK1
SCHEMBL3243228 0.77 CAMKK2 (0.36) CAMKK2FASNPDPK1BACE1
SCHEMBL4153846 0.76 CAMKK2 (0.39) CAMKK2FASNPDPK1PTGS2
SCHEMBL3250925 0.76 NR1H2 (0.38) CAMKK2FASNPDPK1NR1H2NR1H3
SCHEMBL3253056 0.76 CAMKK2 (0.35) CAMKK2FASNPDPK1BACE1JAK1
SCHEMBL3252036 0.75 CLEC4M (0.43) NR1H2
SCHEMBL3250736 0.74 CAMKK2 (0.36) CAMKK2FASNPDPK1NR1H2NR1H3

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-8426437-B2 Pyrroloquinoline derivatives and their use as protein kinases inhibitors PIERRE FABRE MEDICAMENT (FR) 2013-04-23 US claimed
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors PIERRE FABRE MEDICAMENT (FR) 2009-02-12 US claimed
US-8426437-B2 Pyrroloquinoline derivatives and their use as protein kinases inhibitors PIERRE FABRE MEDICAMENT (FR) 2013-04-23 US disclosed
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors PIERRE FABRE MEDICAMENT (FR) 2009-02-12 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-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors MAP3K1, MAP3K2, MAP3K7 CAMKK2 43/4885FASN 2527/4885PDPK1 23/4885

“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.