SCHEMBL865121

SCHEMBL865121

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nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 3/20 0.52
▸ MME P08473 5/20 0.49
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ THPO P40225 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ FOLH1 Q04609 3/20 0.37
▸ F2 P00734 1/20 0.37
▸ FNTA P49354 1/20 0.35
▸ FNTB P49356 1/20 0.35
▸ CA2 P00918 3/20 0.35
▸ CA1 P00915 2/20 0.35
▸ NAALAD2 Q9Y3Q0 2/20 0.33

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
SCHEMBL865120 1.00 TGFBR1 (0.52) TGFBR1MMEKDM4EMAPTTHRB
SCHEMBL27268558 0.83 F2 (0.36) TGFBR1MMEKDM4EF2
SCHEMBL27677170 0.83 KDM4E (0.66) TGFBR1MMEKDM4EMAPTTHRB
SCHEMBL31016491 0.83 CA2 (0.51) MMEKDM4EMAPTTHRBALOX15
SCHEMBL468911 0.81 ALDH1A1 (0.67) MMEMAPTALDH1A1FOLH1NAALAD2
SCHEMBL468910 0.81 ALDH1A1 (0.67) MMEMAPTALDH1A1FOLH1NAALAD2
SCHEMBL6185155 0.81 TGFBR1 (0.46) TGFBR1MMEFNTAFNTBCA2
SCHEMBL12648688 0.80 FOLH1 (0.59) FOLH1FNTAFNTBNAALAD2NOD1
SCHEMBL468800 0.80 FOLH1 (0.59) FOLH1FNTAFNTBNAALAD2NOD1
SCHEMBL468801 0.80 FOLH1 (0.59) FOLH1FNTAFNTBNAALAD2NOD1

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-20160280737-A1 ALKOXYSILANE DERIVATIVES OF N-ACYL AMINO ACIDS, N-ACYL DIPEPTIDES, AND N-ACYL TRIPEPTIDES, AND PARTICLES AND STABLE OIL-IN-WATER FORMULATIONS USING THE SAME GELEST TECHNOLOGIES, INC. 2016-09-29 — — US disclosed
US-9358200-B2 Alkoxysilane derivatives of N-acyl amino acids, N-acyl dipeptides, and N-acyl tripeptides, and particles and stable oil-in-water formulations using the same GELEST TECHNOLOGIES, INC. (US) 2016-06-07 — — US disclosed
US-20120076840-A1 Alkoxysilane Derivatives of N-Acyl Amino Acids, N-Acyl Dipeptides, and N-Acyl Tripeptides, and Particles and Stable Oil-in-Water Formulations Using the Same GELEST TECHNOLOGIES, INC. (US) 2012-03-29 — — US disclosed
EP-2007794-B1 LYSOBACTIN AMIDES AICURIS GMBH & CO KG (DE) 2011-09-14 — — EP 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 (2 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-20160280737-A1 ALKOXYSILANE DERIVATIVES OF N-ACYL AMINO ACIDS, N-ACYL DIPEPTIDES, AND N-ACYL TRIPEPTIDES, AND PARTICLES AND STABLE OIL-IN-WATER FORMULATIONS USING THE SAME ASNS, NPPA, AADAT TGFBR1 3622/4885MME 1560/4885KDM4E 4287/4885
US-20120076840-A1 Alkoxysilane Derivatives of N-Acyl Amino Acids, N-Acyl Dipeptides, and N-Acyl Tripeptides, and Particles and Stable Oil-in-Water Formulations Using the Same ASNS, NPPA, AADAT TGFBR1 3622/4885MME 1560/4885KDM4E 4287/4885

“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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