SCHEMBL2146382

SCHEMBL2146382

CC1(C)OB(c2ccc(OCCO)c(C(F)(F)F)c2)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 13/20 0.42
CTSS P25774 3/20 0.40
CTSK P43235 3/20 0.40
LPL P06858 2/20 0.39
LIPG Q9Y5X9 2/20 0.39
AAK1 Q2M2I8 1/20 0.37
DGAT1 O75907 1/20 0.37

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
SCHEMBL2146769 0.94 CTSS (0.42) S1PR1CTSSCTSKLPLLIPG
SCHEMBL18704586 0.88 LPL (0.42) S1PR1CTSSCTSKLPLLIPG
SCHEMBL22150433 0.87 LPL (0.45) S1PR1CTSSCTSKLPLLIPG
SCHEMBL6901029 0.87 LPL (0.36) S1PR1LPLLIPGAAK1DGAT1
SCHEMBL16499739 0.85 RXRA (0.42) CTSSCTSKLPLLIPGAAK1
SCHEMBL2947619 0.85 LPL (0.48) S1PR1CTSSCTSKLPLLIPG
SCHEMBL6897919 0.85 KDM4E (0.41) S1PR1LPLLIPGAAK1DGAT1
SCHEMBL28553153 0.84 THRA (0.43) CTSSCTSKLPLLIPGAAK1
SCHEMBL20361068 0.83 LPL (0.45) S1PR1LPLLIPG
SCHEMBL3192898 0.83 LIPG (0.45) LPLLIPGAAK1DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2682448-B1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2016-04-20 EP disclosed
US-9133395-B2 Polymerizable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2015-09-15 US disclosed
US-9133395-B2 Polymerizable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2015-09-15 US disclosed
US-9115126-B2 1H-[1,2,3]triazolo[4,5-c]pyridine-4-carbonitrile derivatives MERCK SHARP & DOHME B.V. (NL) 2015-08-25 US disclosed
US-9115126-B2 1H-[1,2,3]triazolo[4,5-c]pyridine-4-carbonitrile derivatives MERCK SHARP & DOHME B.V. (NL) 2015-08-25 US disclosed
EP-2523954-B1 1H-[1,2,3]TRIAZOLO[4,5-C]PYRIDINE-4- CARBONITRILE DERIVATIVES AS CATHEPSIN S INHIBITORS MERCK SHARP & DOHME (NL) 2014-04-16 EP disclosed
EP-2523954-A1 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES MSD Oss B.V. (NL) 2012-11-21 EP disclosed
US-20120283239-A1 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES MSD OSS B.V. (NL) 2012-11-08 US disclosed
US-20120283239-A1 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES MSD OSS B.V. (NL) 2012-11-08 US disclosed
WO-2011086125-A1 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES N.V. ORGANON (NL) 2011-07-21 WO disclosed
WO-2011086125-A1 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES N.V. ORGANON (NL) 2011-07-21 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 (1 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-20120283239-A1 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES CTSS, CTSV, CTSZ S1PR1 1006/4885CTSS 1/4885CTSK 6/4885

“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.