SCHEMBL4169376

SCHEMBL4169376

CN(C)S(=O)(=O)c1cc2c(cc1F)[nH]c(=O)c1[nH]cc(CCCC(=O)O)c12

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MPO P05164 6/20 0.33
SERPINE1 P05121 1/20 0.33
SLC6A4 P31645 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
ALDH1A1 P00352 2/20 0.31
GPR17 Q13304 1/20 0.30
RAB9A P51151 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
SCHEMBL4157906 0.90 GAA (0.34) MPOSERPINE1SLC6A4MEN1KMT2A
SCHEMBL4162508 0.89 PKM (0.35) MPOSERPINE1
SCHEMBL4161009 0.89 GPR17 (0.36) MEN1KMT2AKDM4EGAAALDH1A1
SCHEMBL4165212 0.87 ALOX5AP (0.34) MPOMEN1KMT2APSEN1PSEN2
SCHEMBL3249219 0.81 HSD17B10 (0.37) MEN1KMT2AKDM4EALDH1A1
SCHEMBL4171744 0.79 PKM (0.35) GAAGPR17
SCHEMBL4171968 0.78 PKM (0.35) SERPINE1MEN1KMT2AKDM4EGAA
SCHEMBL4169887 0.77 KDM4E (0.55) MEN1KMT2AKDM4EGAAALDH1A1
SCHEMBL4162942 0.77 KDM4E (0.44) MEN1KMT2AKDM4EGAAALDH1A1
Butyric Acid SCHEMBL4169377 0.76 KDM4E (0.34) SERPINE1MEN1KMT2AKDM4EGAA

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 MPO 1053/4885SERPINE1 999/4885SLC6A4 4800/4885

“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.