SCHEMBL2520296

SCHEMBL2520296

CC(C)(O)CCNC(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.63
LMNA P02545 1/20 0.63
HTT P42858 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.56
MAPT P10636 1/20 0.54
TGM2 P21980 1/20 0.53
KEAP1 Q14145 2/20 0.52
NFE2L2 Q16236 2/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SLC1A3 P43003 1/20 0.50
SLC1A1 P43005 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 1/20 0.49
SYK P43405 1/20 0.48

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
SCHEMBL8026594 0.89 SMN1; SMN2 (0.65) SMN1; SMN2LMNAHTTL3MBTL1MAPT
SCHEMBL16409736 0.86 SMN1; SMN2 (0.57) SMN1; SMN2LMNAHTTL3MBTL1MAPT
SCHEMBL18002248 0.84 SMN1; SMN2 (0.58) SMN1; SMN2LMNAHTTL3MBTL1MAPT
SCHEMBL29043345 0.84 SMN1; SMN2 (0.58) SMN1; SMN2LMNAHTTL3MBTL1MAPT
SCHEMBL10087553 0.84 HTT (0.67) SMN1; SMN2LMNAHTTL3MBTL1MAPT
SCHEMBL13055383 0.84 LMNA (0.80) SMN1; SMN2LMNAHTTL3MBTL1MAPT
SCHEMBL15289516 0.83 LMNA (0.57) SMN1; SMN2LMNAHTTL3MBTL1MAPT
SCHEMBL11930103 0.82 HTT (0.65) SMN1; SMN2LMNAHTTL3MBTL1MAPT
SCHEMBL21251567 0.82 SMN1; SMN2 (0.56) SMN1; SMN2LMNAHTTL3MBTL1MAPT
SCHEMBL15202883 0.82 SYK (0.64) SMN1; SMN2LMNAHTTL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4619037-A1 SMALL MOLECULE-DRUG-CONJUGATES CLEAVABLE IN A TUMOR MICROENVIRONMENT Lerchen, Hans-Georg (DE) 2025-09-24 EP disclosed
WO-2024105197-A1 SMALL MOLECULE-DRUG-CONJUGATES CLEAVABLE IN A TUMOR MICROENVIRONMENT VINCERX PHARMA GMBH (DE) 2024-05-23 WO 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
US-9315498-B2 Arlethynyl derivatives HOFFMAN-LA ROCHE INC. (US) 2016-04-19 US disclosed
CN-103857668-B As the ethynyl derivatives serving of MGLUR5 allosteric modulators HOFFMAN-LA ROCHE LTD. (CH) 2016-04-13 CN 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
EP-2763977-B1 ETHYNYL DERIVATIVES AS MGLUR5 ALLOSTERIC MODULATORS HOFFMANN LA ROCHE (CH) 2016-02-24 EP disclosed
EP-2763977-B1 ETHYNYL DERIVATIVES AS MGLUR5 ALLOSTERIC MODULATORS HOFFMANN LA ROCHE (CH) 2016-02-24 EP disclosed
US-20130090332-A1 ETHYNYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-04-11 US disclosed
WO-2013050454-A1 ETHYNYL DERIVATIVES AS MGLUR5 ALLOSTERIC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-04-11 WO disclosed
US-20130090332-A1 ETHYNYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-04-11 US disclosed
WO-2013050454-A1 ETHYNYL DERIVATIVES AS MGLUR5 ALLOSTERIC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-04-11 WO 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 (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-20130090332-A1 ETHYNYL DERIVATIVES GRM5, GRIK5, GRM1 SMN1; SMN2 3479/4885LMNA 4719/4885HTT 1835/4885
US-20110251169-A1 Arylethynyl derivatives GRM5, GRM1, GRM3 SMN1; SMN2 3190/4885LMNA 4558/4885HTT 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.