SCHEMBL7310606

SCHEMBL7310606

NCCc1cn(CC(=O)N2CCCC2C(=O)O)c2ccc(OCc3cc(F)cc4c3OCOC4)cc12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GYS1 P13807 11/20 0.39
CFD P00746 4/20 0.36
EGFR P00533 2/20 0.35
IGF1R P08069 2/20 0.35
FLT4 P35916 2/20 0.35
KDR P35968 2/20 0.35
DDR1 Q08345 1/20 0.35
DDR2 Q16832 1/20 0.35
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
SCN3A Q9NY46 1/20 0.34

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
SCHEMBL7314411 0.82 LTB4R (0.49) GYS1CFDEGFRIGF1RFLT4
SCHEMBL7314423 0.82 LTB4R (0.49) GYS1CFDEGFRIGF1RFLT4
SCHEMBL7309258 0.82 CFD (0.42) CFDEGFRIGF1RFLT4KDR
SCHEMBL7309274 0.82 CFD (0.42) CFDEGFRIGF1RFLT4KDR
SCHEMBL7308134 0.80 EGFR (0.47) EGFRIGF1RFLT4KDRLTB4R
SCHEMBL7309613 0.79 EGFR (0.41) EGFRIGF1RFLT4KDRLTB4R
SCHEMBL7318098 0.79 EGFR (0.43) EGFRIGF1RFLT4KDRLTB4R
SCHEMBL7318472 0.78 EGFR (0.44) EGFRIGF1RFLT4KDRLTB4R
SCHEMBL7317988 0.78 EGFR (0.39) EGFRIGF1RFLT4KDRLTB4R
SCHEMBL7321372 0.78 KDR (0.39) EGFRIGF1RFLT4KDRLTB4R

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-20010007877-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION 2001-07-12 US claimed
WO-2001034146-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 WO claimed
US-20010007877-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION 2001-07-12 US disclosed
WO-2001034146-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 WO 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-20010007877-A1 NOVEL ANTI-INFECTIVES CTSL, MMP8, SERPINB1 GYS1 4347/4885CFD 3192/4885EGFR 4683/4885

“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.