SCHEMBL7308802

SCHEMBL7308802

NCCc1cn(Cc2cccc(C(=O)O)c2)c2ccc(OCc3cc4c(cc3Cl)OCO4)cc12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 12/20 0.48
EDNRB P24530 11/20 0.48
EGFR P00533 3/20 0.47
IGF1R P08069 3/20 0.47
FLT4 P35916 3/20 0.47
KDR P35968 3/20 0.47
PPARG P37231 2/20 0.44
PPARD Q03181 2/20 0.44
PPARA Q07869 2/20 0.44
TP53 P04637 1/20 0.43
PLA2G2A P14555 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42

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
SCHEMBL7318396 0.92 EGFR (0.50) EDNRAEDNRBEGFRIGF1RFLT4
SCHEMBL7318677 0.85 EGFR (0.55) EGFRIGF1RFLT4KDRPPARG
SCHEMBL7314794 0.85 PPARD (0.49) EGFRIGF1RFLT4KDRPPARG
SCHEMBL7319348 0.85 EGFR (0.46) EDNRAEDNRBEGFRIGF1RFLT4
SCHEMBL7341464 0.83 EGFR (0.44) EDNRAEDNRBEGFRIGF1RFLT4
SCHEMBL7310034 0.83 EGFR (0.54) EGFRIGF1RFLT4KDRPPARG
SCHEMBL7318188 0.83 EGFR (0.57) EGFRIGF1RFLT4KDRPPARG
SCHEMBL7314584 0.82 EGFR (0.52) EGFRIGF1RFLT4KDRPPARG
SCHEMBL7305494 0.82 EGFR (0.51) EGFRIGF1RFLT4KDRPPARG
SCHEMBL7309582 0.82 IDO1 (0.42) EDNRAEDNRBEGFRIGF1RFLT4

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 3 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
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 EDNRA 4091/4885EDNRB 3961/4885EGFR 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.