SCHEMBL15216717

SCHEMBL15216717

O=C(CCN1C(=O)C=CC1=O)NCCCCCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 7/20 0.46
▸ PTGS2 P35354 7/20 0.46
▸ MGLL Q99685 4/20 0.44
▸ FAAH O00519 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ TP53 P04637 2/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ TLR9 Q9NR96 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ XBP1 P17861 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ GPR35 Q9HC97 1/20 0.44

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
SCHEMBL26111142 1.00 PTGS1 (0.46) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL6753087 0.94 PTGS1 (0.45) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL18995821 0.94 PTGS1 (0.51) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL13113726 0.91 PTGS1 (0.55) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL14984835 0.89 PTGS1 (0.49) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL12848812 0.87 ALDH1A1 (0.44) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL20179428 0.86 PTGS1 (0.49) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL932316 0.86 PTGS1 (0.66) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL12132672 0.86 PTGS1 (0.57) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL15297018 0.86 PTGS1 (0.66) PTGS1PTGS2MGLLFAAHALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9783612-B2 CX3CR1-binding polypeptides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-10-10 — — US disclosed
US-20170247475-A1 BISPECIFIC BINDING MOLECULES BINDING TO VEGF AND ANG2 BOEHRINGER INGELHEIM INT (DE) 2017-08-31 — — US disclosed
US-9211330-B2 A-beta binding polypeptides ABLYNX N.V. (BE) 2015-12-15 — — US disclosed
US-9035029-B2 CX3CR1-binding polypeptides comprising immunoglobulin single variable domains BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-05-19 — — US disclosed
US-20140120095-A1 BISPECIFIC BINDING MOLECULES FOR ANTI-ANGIOGENESIS THERAPY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-01 — — US disclosed
US-20140030275-A1 A-BETA BINDING POLYPEPTIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-30 — — US disclosed
US-20130224224-A1 CX3CR1-BINDING POLYPEPTIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-29 — — 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 (4 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-20140030275-A1 A-BETA BINDING POLYPEPTIDES APBA1, APP, BTN3A1 PTGS1 3546/4885PTGS2 4069/4885MGLL 3930/4885
US-20170247475-A1 BISPECIFIC BINDING MOLECULES BINDING TO VEGF AND ANG2 KDR, VEGFA, FLT4 PTGS1 2509/4885PTGS2 924/4885MGLL 3614/4885
US-20140120095-A1 BISPECIFIC BINDING MOLECULES FOR ANTI-ANGIOGENESIS THERAPY FLT4, VEGFA, KDR PTGS1 1321/4885PTGS2 2072/4885MGLL 3961/4885
US-20130224224-A1 CX3CR1-BINDING POLYPEPTIDES CX3CR1, CXCR3, CCL2 PTGS1 3824/4885PTGS2 4147/4885MGLL 2751/4885

“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.

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