SCHEMBL4160163

SCHEMBL4160163

CC(C)(C)OC(=O)Nc1ccccc1-c1ccc2[nH]c(=O)c3[nH]cc(CCC(=O)O)c3c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.41
SCN9A Q15858 2/20 0.35
EGFR P00533 2/20 0.35
PDGFRB P09619 2/20 0.35
FGFR1 P11362 2/20 0.35
KDR P35968 2/20 0.35
GOT1 P17174 1/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
S1PR1 P21453 2/20 0.34
ACE P12821 1/20 0.34
TP53 P04637 1/20 0.34
SERPINE1 P05121 2/20 0.34
IDO1 P14902 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33

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
SCHEMBL4166406 0.86 MAP4K4 (0.41) SCN9ASERPINE1GABRA1GABRG2GABRB3
SCHEMBL4155388 0.86 CYP17A1 (0.42) TRPV1SCN9AACESERPINE1IDO1
SCHEMBL3254005 0.85 TRPV1 (0.43) TRPV1SCN9AIDO1GABRA1GABRG2
SCHEMBL4157488 0.83 MCL1 (0.42) TRPV1EGFRPDGFRBFGFR1KDR
SCHEMBL3245835 0.82 TRPV1 (0.41) TRPV1MAPTGABRA1GABRA3
SCHEMBL3244744 0.81 TRPV1 (0.40) TRPV1SCN9AMAPTSMN1; SMN2TP53
Propionic Acid SCHEMBL4160167 0.80 TRPV1 (0.42) TRPV1SCN9AGABRA1GABRG2GABRB3
SCHEMBL4165826 0.80 HPGD (0.43) EGFRPDGFRBFGFR1KDRS1PR1
SCHEMBL4155350 0.80 GPR17 (0.46) S1PR1
SCHEMBL4153837 0.79 GPR17 (0.45) EGFRPDGFRBFGFR1KDRMAPT

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 TRPV1 2417/4885SCN9A 3817/4885EGFR 741/4885

“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.