SCHEMBL2518451

SCHEMBL2518451

COC(=O)C(CNC(=O)OCc1ccccc1)OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HTT P42858 1/20 0.51
SYK P43405 1/20 0.50
ALDH1A1 P00352 2/20 0.48
TRPM8 Q7Z2W7 1/20 0.48
ALOX15 P16050 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CTSK P43235 3/20 0.47
CTSS P25774 2/20 0.47
KYNU Q16719 1/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL2518455 1.00 LMNA (0.54) LMNASMN1; SMN2HTTSYKALDH1A1
SCHEMBL13618133 0.85 SYK (0.48) LMNASMN1; SMN2HTTSYKALDH1A1
SCHEMBL652527 0.85 LMNA (0.60) LMNASMN1; SMN2HTTSYKALDH1A1
SCHEMBL1187483 0.84 TRPM8 (0.53) LMNASMN1; SMN2HTTSYKALDH1A1
Hydrochloric Acid SCHEMBL7243767 0.84 SLC1A3 (0.54) LMNASMN1; SMN2HTTSYKALDH1A1
SCHEMBL6045379 0.84 LMNA (0.55) LMNASMN1; SMN2HTTSYKALDH1A1
SCHEMBL6045377 0.84 LMNA (0.55) LMNASMN1; SMN2HTTSYKALDH1A1
SCHEMBL2525369 0.84 LMNA (0.55) LMNASMN1; SMN2HTTSYKALDH1A1
SCHEMBL2525365 0.84 LMNA (0.55) LMNASMN1; SMN2HTTSYKALDH1A1
SCHEMBL13618128 0.84 LMNA (0.55) LMNASMN1; SMN2HTTSYKALDH1A1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9315498-B2 Arlethynyl derivatives HOFFMAN-LA ROCHE INC. (US) 2016-04-19 US disclosed
US-9315498-B2 Arlethynyl derivatives HOFFMAN-LA ROCHE INC. (US) 2016-04-19 US disclosed
US-9315498-B2 Arlethynyl derivatives HOFFMAN-LA ROCHE INC. (US) 2016-04-19 US disclosed
EP-2558457-B1 ARYLETHYNYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-03-09 EP disclosed
EP-2558457-B1 ARYLETHYNYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-03-09 EP disclosed
US-20140155602-A1 Arlethynyl Derivatives HOFFMANN-LA ROCHE INC. (US) 2014-06-05 US disclosed
US-8618296-B2 Arylethynyl derivatives HOFFMANN-LA ROCHE INC. (US) 2013-12-31 US disclosed
US-20130274464-A1 Arylethynyl Derivatives F. HOFFMANN-LA ROCHE AG (CH) 2013-10-17 US disclosed
US-20130274464-A1 Arylethynyl Derivatives F. HOFFMANN-LA ROCHE AG (CH) 2013-10-17 US disclosed
US-20130274464-A1 Arylethynyl Derivatives F. HOFFMANN-LA ROCHE AG (CH) 2013-10-17 US disclosed
US-20130178456-A1 ARYLETHYNYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-07-11 US disclosed
US-8420661-B2 Arylethynyl derivatives HOFFMANN-LA ROCHE INC. (US) 2013-04-16 US disclosed
US-8420661-B2 Arylethynyl derivatives HOFFMANN-LA ROCHE INC. (US) 2013-04-16 US disclosed
US-8420661-B2 Arylethynyl derivatives HOFFMANN-LA ROCHE INC. (US) 2013-04-16 US disclosed
EP-2558457-A1 ARYLETHYNYL DERIVATIVES F. Hoffmann-La Roche AG (CH) 2013-02-20 EP disclosed
WO-2011128279-A1 ARYLETHYNYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-20 WO disclosed
WO-2011128279-A1 ARYLETHYNYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-20 WO disclosed
US-20110251169-A1 Arylethynyl derivatives HOFFMANN-LA ROCHE, INC. 2011-10-13 US disclosed
US-20110251169-A1 Arylethynyl derivatives HOFFMANN-LA ROCHE, INC. 2011-10-13 US disclosed
US-20110251169-A1 Arylethynyl derivatives HOFFMANN-LA ROCHE, INC. 2011-10-13 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 (4 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-20130178456-A1 ARYLETHYNYL DERIVATIVES GRM5, GRM1, GRM3 LMNA 4558/4885SMN1; SMN2 3190/4885HTT 1094/4885
US-20140155602-A1 Arlethynyl Derivatives GRM5, GRIK5, GRM1 LMNA 4483/4885SMN1; SMN2 3667/4885HTT 1237/4885
US-20130274464-A1 Arylethynyl Derivatives GRM5, GRM1, GRM3 LMNA 4558/4885SMN1; SMN2 3190/4885HTT 1094/4885
US-20110251169-A1 Arylethynyl derivatives GRM5, GRM1, GRM3 LMNA 4558/4885SMN1; SMN2 3190/4885HTT 1094/4885

“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.