SCHEMBL4159560

SCHEMBL4159560

CS(=O)(=O)c1cccc(-c2ccc3[nH]c(=O)c4[nH]ccc4c3c2)c1.O=C(O)C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.41
FASN P49327 1/20 0.39
CNR1 P21554 1/20 0.39
CAMKK2 Q96RR4 2/20 0.38
AKR1C3 P42330 2/20 0.38
AKR1C1 Q04828 1/20 0.38
DGAT2 Q96PD7 1/20 0.37
PDPK1 O15530 1/20 0.36
BRD4 O60885 5/20 0.36
CTSC P53634 1/20 0.35
PTGS2 P35354 2/20 0.35
MAPK10 P53779 1/20 0.35
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34

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
SCHEMBL4715466 0.87 FASN (0.45) FASNCAMKK2PDPK1PTGS2
Propionic Acid SCHEMBL4155344 0.85 FASN (0.42) FASNCAMKK2PDPK1PTGS2
Butyric Acid SCHEMBL4153848 0.84 FASN (0.41) FASNCAMKK2PDPK1PTGS2
3-Methylbutanoic Acid SCHEMBL4163003 0.82 FASN (0.40) FASNCAMKK2PDPK1PTGS2
Propionic Acid SCHEMBL4155190 0.77 PTGS2 (0.40) BRD4PTGS2JAK2
SCHEMBL4166122 0.77 MAPK10 (0.34) BRD4MAPK10JAK3
SCHEMBL4160378 0.76 NPC1 (0.42)
SCHEMBL3243228 0.76 CAMKK2 (0.36) FASNCAMKK2DGAT2PDPK1JAK2
SCHEMBL3242761 0.75 CAMKK2 (0.46) FASNCAMKK2PDPK1PTGS2
SCHEMBL3250654 0.74 PDPK1 (0.41) VCPFASNCAMKK2DGAT2PDPK1

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 VCP 3103/4885FASN 2527/4885CNR1 1804/4885

“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.