SCHEMBL13488479

SCHEMBL13488479

Cc1cc(F)c(F)c(OC(C)C)c1F

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.32
▸ SLC6A4 P31645 2/20 0.32
▸ SLC6A3 Q01959 2/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ KAT6A Q92794 1/20 0.30

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
SCHEMBL11916149 0.87 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3CYP2D6KDM4E
SCHEMBL1099372 0.76 ACHE (0.36) ALDH1A1HSD17B10
SCHEMBL4737840 0.75 ALDH1A1 (0.39) SLC6A4CYP2D6KDM4EALDH1A1
SCHEMBL11916151 0.74 KDM4E (0.31) SLC6A2SLC6A4SLC6A3CYP2D6KDM4E
SCHEMBL19105004 0.73 ELANE (0.37) KDM4EALDH1A1
Methyl Alcohol SCHEMBL28274629 0.72 MEN1 (0.34) ALDH1A1HSD17B10
SCHEMBL27051007 0.72 — —
SCHEMBL7007318 0.72 ALDH1A1 (0.46) KDM4EALDH1A1KAT6A
SCHEMBL10259660 0.71 CA1 (0.31) —
SCHEMBL8570914 0.71 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240024497-A1 METHODS FOR THE SYNTHESIS OF PROTEIN-DRUG CONJUGATES CIDARA THERAPEUTICS, INC. 2024-01-25 — — US disclosed
US-20180222916-A1 FUNCTIONALIZED NANOLUC INHIBITORS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2018-08-09 — — US disclosed
US-20170014520-A1 OLIGOSACCHARIDES COMPRISING AN AMINOOXY GROUP AND CONJUGATES THEREOF GENZYME CORPORATION 2017-01-19 — — US disclosed
US-20160356786-A1 Novel Isobaric Tandem Mass Tags for Quantitative Proteomics and Peptidomics WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2016-12-08 — — US disclosed
US-9469850-B2 Oligosaccharides comprising an aminooxy group and conjugates thereof GENZYME CORPORATION (US) 2016-10-18 — — US disclosed
US-9388132-B2 Isobaric tandem mass tags for quantitative proteomics and peptidomics WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2016-07-12 — — US disclosed
US-20150050262-A1 OLIGOSACCHARIDES COMPRISING AN AMINOOXY GROUP AND CONJUGATES THEREOF GENZYME CORPORATION (US) 2015-02-19 — — US disclosed
US-8759501-B2 Oligosaccharides comprising an aminooxy group and conjugates thereof GENZYME CORPORATION (US) 2014-06-24 — — US disclosed
US-20130078728-A1 Novel Isobaric Tandem Mass Tags for Quantitative Proteomics and Peptidomics NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-03-28 — — US disclosed
US-20100047225-A1 OLIGOSACCHARIDES COMPRISING AN AMINOOXY GROUP AND CONJUGATES THEREOF GENZYME CORPORATION (US) 2010-02-25 — — 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 (7 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-20240024497-A1 METHODS FOR THE SYNTHESIS OF PROTEIN-DRUG CONJUGATES RNGTT, RNMT, DNPEP SLC6A2 1779/4885SLC6A4 2599/4885SLC6A3 2475/4885
US-20130078728-A1 Novel Isobaric Tandem Mass Tags for Quantitative Proteomics and Peptidomics SRMS, TMT1A, PTMS SLC6A2 2799/4885SLC6A4 2502/4885SLC6A3 2497/4885
US-20150050262-A1 OLIGOSACCHARIDES COMPRISING AN AMINOOXY GROUP AND CONJUGATES THEREOF MAN2B1, MAN1B1, GAA SLC6A2 677/4885SLC6A4 882/4885SLC6A3 602/4885
US-20170014520-A1 OLIGOSACCHARIDES COMPRISING AN AMINOOXY GROUP AND CONJUGATES THEREOF MAN2B1, MAN1B1, GAA SLC6A2 677/4885SLC6A4 882/4885SLC6A3 602/4885
US-20100047225-A1 OLIGOSACCHARIDES COMPRISING AN AMINOOXY GROUP AND CONJUGATES THEREOF MAN2B1, MAN1B1, GAA SLC6A2 677/4885SLC6A4 882/4885SLC6A3 602/4885
US-20180222916-A1 FUNCTIONALIZED NANOLUC INHIBITORS RNGTT, LUC7L2, GUSB SLC6A2 4050/4885SLC6A4 4404/4885SLC6A3 4147/4885
US-20160356786-A1 Novel Isobaric Tandem Mass Tags for Quantitative Proteomics and Peptidomics SRMS, TMT1A, PTMS SLC6A2 2799/4885SLC6A4 2502/4885SLC6A3 2497/4885

“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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