SCHEMBL4157677

SCHEMBL4157677

O=C(O)CCc1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)N4CCOCC4)cc3c12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.53
LMNA P02545 1/20 0.50
CASP3 P42574 1/20 0.48
HSD17B10 Q99714 4/20 0.48
EGFR P00533 2/20 0.47
ALDH1A1 P00352 9/20 0.46
KDM4E B2RXH2 6/20 0.46
HPGD P15428 4/20 0.46
GLA P06280 2/20 0.46
MAPT P10636 2/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 1/20 0.45
POLB P06746 1/20 0.44
F2 P00734 2/20 0.44
ERBB2 P04626 2/20 0.43
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43

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
SCHEMBL4170125 0.92 KDM4E (0.47) GAALMNAHSD17B10ALDH1A1KDM4E
SCHEMBL4174088 0.89 HSD17B10 (0.53) GAACASP3HSD17B10ALDH1A1KDM4E
SCHEMBL4162757 0.85 CASP3 (0.37) GAACASP3HSD17B10ALDH1A1KDM4E
SCHEMBL4155191 0.84 HPGD (0.42) EGFRALDH1A1KDM4EHPGDMAPT
SCHEMBL3251244 0.84 GAA (0.70) GAALMNACASP3HSD17B10EGFR
SCHEMBL4160832 0.83 PDE3A (0.48) LMNAALDH1A1MAPTKMT2APOLB
SCHEMBL4162915 0.81 PDGFRB (0.46) HPGDMAPTKDR
SCHEMBL4154862 0.81 PKM (0.49) GAALMNAALDH1A1MAPTKMT2A
SCHEMBL4162937 0.80 PARP1 (0.51) HSD17B10ALDH1A1MAPTKMT2ATSHR
SCHEMBL4160126 0.80 HSD17B10 (0.55) GAACASP3HSD17B10ALDH1A1KDM4E

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 GAA 3035/4885LMNA 3096/4885CASP3 1691/4885

“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.