SCHEMBL4162500

SCHEMBL4162500

Cc1cccc(S(=O)(=O)Nc2ccc3[nH]c(=O)c4[nH]cc(CCC(=O)O)c4c3c2)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.45
BRD4 O60885 7/20 0.45
MAPT P10636 4/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
HIF1A Q16665 1/20 0.41
TP53 P04637 2/20 0.40
POLB P06746 1/20 0.40
HTR6 P50406 3/20 0.40
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
LMNA P02545 1/20 0.39
KIT P10721 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL4162432 0.93 MAPT (0.47) MAPTALDH1A1TP53POLBHTR6
SCHEMBL4158099 0.91 BRD4 (0.54) PTGDR2BRD4HTR6AURKAAURKB
SCHEMBL4155589 0.90 ALDH1A1 (0.50) PTGDR2BRD4MAPTALDH1A1TP53
SCHEMBL4157718 0.90 BRD4 (0.56) BRD4MAPTHTR6
SCHEMBL4160914 0.90 PTGDR2 (0.45) PTGDR2BRD4MAPTTP53POLB
SCHEMBL4157592 0.89 BRD4 (0.47) BRD4MAPTALDH1A1HPGDTP53
SCHEMBL4157628 0.89 ALDH1A1 (0.50) MAPTALDH1A1HPGDTP53POLB
SCHEMBL4157748 0.86 BRD4 (0.57) PTGDR2BRD4ALDH1A1HTR6LMNA
SCHEMBL4163279 0.86 PKM (0.48) BRD4MAPTTP53POLBHTR6
SCHEMBL4155342 0.85 SIRT2 (0.41) BRD4MAPTTP53POLBHTR6

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 PTGDR2 789/4885BRD4 545/4885MAPT 734/4885

“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.