SCHEMBL4157592

SCHEMBL4157592

COc1cccc(S(=O)(=O)Nc2ccc3[nH]c(=O)c4[nH]cc(CCC(=O)O)c4c3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.47
ADRB3 P13945 1/20 0.47
POLB P06746 9/20 0.45
MAPT P10636 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
PGR P06401 2/20 0.43
TDP1 Q9NUW8 5/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
THRB P10828 1/20 0.42
TP53 P04637 4/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 2/20 0.42
GAA P10253 1/20 0.42
ITK Q08881 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42

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
SCHEMBL4164325 0.93 POLB (0.53) BRD4ADRB3POLBMAPTSMN1; SMN2
SCHEMBL4164244 0.91 BRD4 (0.55) BRD4SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL4163720 0.89 BRD4 (0.48) BRD4POLBMAPTSMN1; SMN2THRB
SCHEMBL4162500 0.89 PTGDR2 (0.45) BRD4POLBMAPTTP53LMNA
SCHEMBL4158099 0.89 BRD4 (0.54) BRD4ADRB3
SCHEMBL4160914 0.87 PTGDR2 (0.45) BRD4ADRB3POLBMAPTPGR
SCHEMBL4157718 0.87 BRD4 (0.56) BRD4ADRB3MAPTPGR
SCHEMBL4157748 0.86 BRD4 (0.57) BRD4SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL3245585 0.85 BRD4 (0.50) BRD4POLBMAPTSMN1; SMN2PGR
SCHEMBL4155589 0.85 ALDH1A1 (0.50) BRD4POLBMAPTSMN1; SMN2TDP1

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 BRD4 545/4885ADRB3 3822/4885POLB 1007/4885

“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.