SCHEMBL4171744

SCHEMBL4171744

CN(C1CC1)S(=O)(=O)c1cc2c(cc1Cl)[nH]c(=O)c1[nH]cc(CCCC(=O)O)c12

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.35
GPR17 Q13304 1/20 0.33
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
MC4R P32245 5/20 0.32
MC5R P33032 5/20 0.32
MC3R P41968 5/20 0.32
GRIN1 Q05586 2/20 0.32
S1PR1 P21453 1/20 0.31
GAA P10253 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL4162508 0.90 PKM (0.35) PKMHTR1DHTR1BMC4RMC5R
SCHEMBL4161009 0.89 GPR17 (0.36) GPR17GRIN1S1PR1GAA
SCHEMBL4171968 0.89 PKM (0.35) PKMHTR1DHTR1BMC4RMC5R
SCHEMBL4166910 0.84 KDM4E (0.39) HTR1DHTR1BMC4RMC5RMC3R
SCHEMBL3244399 0.83 GAA (0.41) PKMGAA
SCHEMBL4159472 0.80 HTR1D (0.37) HTR1DHTR1BGAAUSP2LMNA
Hydrochloric Acid SCHEMBL4161185 0.79 GPR17 (0.32) GPR17MC4RMC5RMC3R
SCHEMBL4157860 0.79 MAPT (0.37) HTR1DHTR1BGAAUSP2LMNA
Hydrochloric Acid SCHEMBL4161189 0.79 GPR17 (0.32) GPR17MC4RMC5RMC3R
Butyric Acid SCHEMBL4171746 0.79 PKM (0.37) PKMGRIN1GAA

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 2 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 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 PKM 276/4885GPR17 2461/4885HTR1D 4632/4885

“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.