SCHEMBL9892479

SCHEMBL9892479

C=C1C=CC(=O)N1CCCCCC(=O)O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 7/20 0.77
▸ PTGS2 P35354 7/20 0.77
▸ MGLL Q99685 4/20 0.52
▸ FAAH O00519 3/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ HSP90AA1 P07900 1/20 0.52
▸ TLR9 Q9NR96 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ XBP1 P17861 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ GPR35 Q9HC97 1/20 0.52

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
SCHEMBL18515656 0.93 PTGS1 (0.66) PTGS1PTGS2MGLLFAAHSMN1; SMN2
SCHEMBL7785894 0.88 PTGS1 (1.00) PTGS1PTGS2MGLLFAAHSMN1; SMN2
SCHEMBL6934781 0.88 PTGS1 (1.00) PTGS1PTGS2MGLLFAAHSMN1; SMN2
SCHEMBL3291535 0.88 PTGS1 (1.00) PTGS1PTGS2MGLLFAAHSMN1; SMN2
SCHEMBL6940132 0.88 PTGS1 (1.00) PTGS1PTGS2MGLLFAAHSMN1; SMN2
SCHEMBL24939859 0.88 PTGS1 (1.00) PTGS1PTGS2MGLLFAAHSMN1; SMN2
SCHEMBL43969 0.88 PTGS1 (1.00) PTGS1PTGS2MGLLFAAHSMN1; SMN2
SCHEMBL1574552 0.88 PTGS1 (1.00) PTGS1PTGS2MGLLFAAHSMN1; SMN2
SCHEMBL8779419 0.88 PTGS1 (1.00) PTGS1PTGS2MGLLFAAHSMN1; SMN2
SCHEMBL8779453 0.88 PTGS1 (1.00) PTGS1PTGS2MGLLFAAHSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3129063-B1 ANTI-HER3 ANTIBODY-DRUG CONJUGATE DAIICHI SANKYO CO LTD (JP) 2021-01-27 — — EP disclosed
EP-3130608-A1 (ANTI-HER2 ANTIBODY)-DRUG CONJUGATE Daiichi Sankyo Co., Ltd. (JP) 2017-02-15 — — EP disclosed
US-20120148608-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. (US) 2012-06-14 — — US disclosed
US-20120148610-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. (US) 2012-06-14 — — US disclosed
US-20120141509-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. (US) 2012-06-07 — — US disclosed
US-20120141510-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. (US) 2012-06-07 — — US disclosed
US-20120141508-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. (US) 2012-06-07 — — US disclosed
WO-2011097627-A1 ANTIBODY DRUG CONJUGATES (ADC) THAT BIND TO 161P2F10B PROTEINS AGENSYS, INC. (US) 2011-08-11 — — 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 (5 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-20120148610-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM PTGS1 4742/4885PTGS2 4834/4885MGLL 4454/4885
US-20120141510-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM PTGS1 4742/4885PTGS2 4834/4885MGLL 4454/4885
US-20120141509-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM PTGS1 4742/4885PTGS2 4834/4885MGLL 4454/4885
US-20120148608-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM PTGS1 4742/4885PTGS2 4834/4885MGLL 4454/4885
US-20120141508-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM PTGS1 4742/4885PTGS2 4834/4885MGLL 4454/4885

“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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