SCHEMBL7312477

SCHEMBL7312477

NCCc1cn(Cc2ccc(C(=O)O)s2)c2ccc(OCc3ccccc3-c3ccccc3)cc12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.52
IGF1R P08069 5/20 0.52
FLT4 P35916 5/20 0.52
KDR P35968 5/20 0.52
FFAR1 O14842 2/20 0.40
FFAR4 Q5NUL3 2/20 0.40
LTB4R Q15722 2/20 0.40
LTB4R2 Q9NPC1 2/20 0.40
PLA2G2A P14555 4/20 0.39
AKR1A1 P14550 1/20 0.38
AKR1B1 P15121 1/20 0.38
PPARG P37231 2/20 0.38
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
ICMT O60725 1/20 0.38

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
SCHEMBL7308490 0.83 EGFR (0.61) EGFRIGF1RFLT4KDRFFAR1
SCHEMBL7318750 0.83 EGFR (0.54) EGFRIGF1RFLT4KDRFFAR1
SCHEMBL7317397 0.83 EGFR (0.54) EGFRIGF1RFLT4KDRLTB4R
SCHEMBL7320945 0.82 EGFR (0.55) EGFRIGF1RFLT4KDRLTB4R
SCHEMBL7318366 0.82 EGFR (0.45) EGFRIGF1RFLT4KDRFFAR4
SCHEMBL7320099 0.82 EGFR (0.47) EGFRIGF1RFLT4KDRLTB4R
SCHEMBL7341464 0.81 EGFR (0.44) EGFRIGF1RFLT4KDRLTB4R
SCHEMBL7317891 0.81 EGFR (0.49) EGFRIGF1RFLT4KDRFFAR1
SCHEMBL7313126 0.80 EGFR (0.46) EGFRIGF1RFLT4KDRFFAR1
SCHEMBL7314361 0.80 EGFR (0.45) 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 EGFR 4683/4885IGF1R 4834/4885FLT4 4417/4885

“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.