SCHEMBL1299521

SCHEMBL1299521

N#COC(=O)/C=C/c1ccc(O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 6/20 0.61
▸ CA7 P43166 6/20 0.61
▸ CA9 Q16790 6/20 0.61
▸ CA14 Q9ULX7 6/20 0.61
▸ CA1 P00915 5/20 0.61
▸ CA2 P00918 4/20 0.61
▸ TYR P14679 3/20 0.61
▸ AKR1B10 O60218 6/20 0.56
▸ AKR1B1 P15121 6/20 0.56
▸ F3 P13726 2/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ HSD11B1 P28845 1/20 0.55
▸ CA4 P22748 3/20 0.53
▸ CA6 P23280 3/20 0.53
▸ CA5A P35218 3/20 0.53
▸ CA5B Q9Y2D0 3/20 0.53
▸ PKM P14618 2/20 0.53
▸ ESR1 P03372 1/20 0.53
▸ CA3 P07451 1/20 0.53

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
SCHEMBL2547176 1.00 CA12 (0.61) CA12CA7CA9CA14CA1
SCHEMBL8359765 0.84 MAPT (0.53) CA12CA7CA9CA14AKR1B10
SCHEMBL8359766 0.84 MAPT (0.53) CA12CA7CA9CA14AKR1B10
SCHEMBL10719558 0.81 JUN (0.53) CA12CA7CA9CA14CA1
SCHEMBL22026690 0.81 F3 (0.62) F3MAOBP4HBGSK3BBACE1
SCHEMBL30665840 0.81 AKR1B10 (0.52) AKR1B10AKR1B1MAOBP4HBMMP2
SCHEMBL8745007 0.81 APP (0.64) CA12CA7CA9CA14CA1
SCHEMBL1478808 0.81 F3 (0.62) F3MAOBP4HBGSK3BBACE1
SCHEMBL10891552 0.79 CA12 (0.71) CA12CA7CA9CA14CA1
SCHEMBL3314742 0.79 CA12 (0.71) CA12CA7CA9CA14CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118914337-A Nb-based2Quick detection mass spectrum method for C metabolite 北京大学 2024-11-08 — — CN disclosed
US-11542492-B2 Ligand-directed covalent modification of protein CELGENE CAR LLC (BM) 2023-01-03 — — US disclosed
CN-110291037-A For determining the composition and method of the infection level in object 卫理公会医院 2019-09-27 — — CN disclosed
US-20190211299-A1 END FITTING AND DEVICE FOR SAMPLING COLONIES OF MICROORGANISMS AND SAMPLING PROCESS USING SAME bioMérieux (FR) 2019-07-11 — — US disclosed
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-05-09 — — US disclosed
US-10138256-B2 MK2 inhibitors and uses thereof CELGENE CAR LLC (BM) 2018-11-27 — — US disclosed
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein CELGENE CAR LLC (BM) 2017-08-03 — — US disclosed
EP-2968339-A1 MK2 INHIBITORS AND USES THEREOF Celgene Avilomics Research, Inc. (US) 2016-01-20 — — EP disclosed
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-31 — — US disclosed
WO-2014149164-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-09-25 — — WO disclosed
EP-2519664-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN Avila Therapeutics, Inc. (US) 2012-11-07 — — EP disclosed
US-20110269244-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN CELGENE CAR LLC (BM) 2011-11-03 — — US disclosed
WO-2011082285-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN AVILA THERAPEUTICS, INC. (US) 2011-07-07 — — WO disclosed
EP-1546118-A2 COMPOSITIONS AND METHODS FOR DETECTION AND ISOLATION OF PHOSPHORYLATED MOLECULES Molecular Probes Inc. (US) 2005-06-29 — — EP disclosed
WO-2005047901-A2 COMPOSITIONS AND METHODS FOR DETECTION AND ISOLATION PHOSPHORYLATED MOLECULES MOLECULAR PROBES, INC. (US) 2005-05-26 — — WO disclosed
WO-2004042347-A2 COMPOSITIONS AND METHODS FOR DETECTION AND ISOLATION OF PHOSPHORYLATED MOLECULES MOLECULAR PROBES, INC. (US) 2004-05-21 — — 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 (6 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-20150376208-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 CA12 2467/4885CA7 3588/4885CA9 3631/4885
US-11542492-B2 Ligand-directed covalent modification of protein PTMS, SPR, DNPEP CA12 2847/4885CA7 3812/4885CA9 3154/4885
US-20110269244-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN PTMS, SPR, DNPEP CA12 2847/4885CA7 3812/4885CA9 3154/4885
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein PTMS, SPR, DNPEP CA12 2847/4885CA7 3812/4885CA9 3154/4885
US-10138256-B2 MK2 inhibitors and uses thereof MKNK2, DUSP2, MKNK1 CA12 2467/4885CA7 3588/4885CA9 3631/4885
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 CA12 2467/4885CA7 3588/4885CA9 3631/4885

“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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