SCHEMBL4153781

SCHEMBL4153781

CN(C)C1CCC(S(=O)(=O)c2ccc3[nH]c(=O)c4[nH]cc(CCCC(=O)O)c4c3c2)C1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
PTGDR Q13258 1/20 0.32
GAA P10253 1/20 0.31
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
MC4R P32245 1/20 0.30
MC5R P33032 1/20 0.30
MC3R P41968 1/20 0.30

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
Hydrochloric Acid SCHEMBL4166104 0.87 MC4R (0.33) PTGDRMC4RMC5RMC3R
Hydrochloric Acid SCHEMBL4166100 0.87 MC4R (0.33) PTGDRMC4RMC5RMC3R
Hydrochloric Acid SCHEMBL4167766 0.87 MC4R (0.33) PTGDRMC4RMC5RMC3R
SCHEMBL4166910 0.86 KDM4E (0.39) KDM4EPTGDRGAALMNATP53
SCHEMBL3253488 0.84 KDM4E (0.37) KDM4EGAALMNATP53MAPT
SCHEMBL3250390 0.84 KDM4E (0.37) KDM4EGAALMNATP53MAPT
SCHEMBL3250387 0.84 KDM4E (0.37) KDM4EGAALMNATP53MAPT
SCHEMBL4157860 0.82 MAPT (0.37) KDM4EGAALMNATP53MAPT
SCHEMBL4159472 0.81 HTR1D (0.37) KDM4EPTGDRGAALMNATP53
SCHEMBL4155240 0.80 KDM4E (0.35) KDM4EPTGDRGAALMNATP53

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 KDM4E 1970/4885PTGDR 861/4885GAA 3035/4885

“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.