SCHEMBL3243228

SCHEMBL3243228

CS(=O)(=O)c1cccc(-c2ccc3[nH]c(=O)c4[nH]cc(C(=O)OC5CCCC5)c4c3c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 2/20 0.36
FASN P49327 1/20 0.36
BACE1 P56817 1/20 0.35
NR4A2 P43354 1/20 0.35
PDPK1 O15530 1/20 0.35
MMP1 P03956 2/20 0.35
MMP9 P14780 2/20 0.35
MMP12 P39900 2/20 0.35
MAPT P10636 3/20 0.34
TP53 P04637 3/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
JAK2 O60674 1/20 0.34
FAAH O00519 1/20 0.34
MMP2 P08253 1/20 0.33
DGAT2 Q96PD7 1/20 0.33
SYK P43405 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
SCHEMBL3253056 0.86 CAMKK2 (0.35) CAMKK2FASNBACE1PDPK1MAPT
SCHEMBL3252036 0.85 CLEC4M (0.43) MAPTJAK2CYP3A4
SCHEMBL3242761 0.84 CAMKK2 (0.46) CAMKK2FASNNR4A2PDPK1HSD17B10
SCHEMBL3251000 0.83 KDM4E (0.41) CAMKK2FASNNR4A2PDPK1LMNA
SCHEMBL3250350 0.82 KDM4E (0.42) CAMKK2FASNNR4A2PDPK1ALDH1A1
SCHEMBL3251640 0.78 MMP9 (0.37) MMP1MMP9MMP12MAPTTP53
SCHEMBL4159565 0.77 CAMKK2 (0.39) CAMKK2FASNBACE1PDPK1
SCHEMBL3252056 0.76 NPC1 (0.43) MAPTTP53LMNAALDH1A1HPGD
SCHEMBL4159560 0.76 VCP (0.41) CAMKK2FASNPDPK1JAK2DGAT2
SCHEMBL3248872 0.75 WEE1 (0.41) NR4A2MAPTHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP claimed
US-8426437-B2 Pyrroloquinoline derivatives and their use as protein kinases inhibitors PIERRE FABRE MEDICAMENT (FR) 2013-04-23 US disclosed
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
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 2527/4885BACE1 1787/4885

“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.