SCHEMBL4671964

SCHEMBL4671964

CC(C)C(O)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CYP2D6 P10635 1/20 0.39
CA12 O43570 1/20 0.36
CA14 Q9ULX7 1/20 0.36
DGAT1 O75907 1/20 0.36
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
NOS1 P29475 2/20 0.34
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
CTSK P43235 2/20 0.33
CTSS P25774 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
APP P05067 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31

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
SCHEMBL11855010 1.00 CA1 (0.39) CA1CA2CA7CYP2D6CA12
SCHEMBL4671957 1.00 CA1 (0.39) CA1CA2CA7CYP2D6CA12
SCHEMBL8030378 0.86 HTT (0.40) CA1CA2CA7CYP2D6CA12
SCHEMBL1845280 0.86 HTT (0.40) CA1CA2CA7CYP2D6CA12
SCHEMBL8028869 0.86 HTT (0.40) CA1CA2CA7CYP2D6CA12
SCHEMBL19407016 0.86 HTT (0.40) CA1CA2CA7CYP2D6CA12
SCHEMBL3347516 0.81 NOS1 (0.37) CA1CA2CA7CYP2D6CA12
SCHEMBL9094607 0.81 NOS1 (0.37) CA1CA2CA7CYP2D6CA12
SCHEMBL305050 0.81 TP53 (0.38) CA1CA2CA7CYP2D6CA12
SCHEMBL1332536 0.81 TP53 (0.38) CA1CA2CA7CYP2D6CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025045233-A1 MACROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, AND USE THEREOF 劲方医药科技(上海)股份有限公司 2025-03-06 WO disclosed
EP-3723745-B1 PHENOXY ACIDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS NMD PHARMA AS (DK) 2024-06-19 EP disclosed
US-11730714-B2 Compounds for the treatment of neuromuscular disorders NMD PHARMA A/S (DK) 2023-08-22 US disclosed
US-11147788-B2 Compounds for the treatment of neuromuscular disorders NMD PHARMA A/S (DK) 2021-10-19 US disclosed
US-20190183834-A1 Compounds For The Treatment Of Neuromuscular Disorders NMD PHARMA A/S (DK) 2019-06-20 US disclosed
US-20190183833-A1 Compounds For The Treatment Of Neuromuscular Disorders NMD PHARMA APS 2019-06-20 US disclosed
EP-1923386-A2 Carbamate caspase inhibitors and uses thereof Vertex Pharmceuticals Incorporated (US) 2008-05-21 EP disclosed
EP-1268425-B1 CARBAMATE CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMA (US) 2008-01-23 EP disclosed
US-7074782-B2 Carbamate caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-07-11 US disclosed
US-20040053920-A1 Carbamate caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-03-18 US disclosed
US-6689784-B2 CONTROLLING CELL APOPTOSIS VERTEX PHARMACEUTICALS INCORPORATED 2004-02-10 US disclosed
EP-1268425-A2 CARBAMATE CASPASE INHIBITORS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2003-01-02 EP disclosed
US-20020028803-A1 Carbamate caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2002-03-07 US disclosed
WO-2001072707-A2 CARBAMATE CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2001-10-04 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 (6 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-20020028803-A1 Carbamate caspase inhibitors and uses thereof CASP1, CASP2, CASP3 CA1 38/4885CA2 44/4885CA7 90/4885
US-11730714-B2 Compounds for the treatment of neuromuscular disorders RYR1, CACNB1, RYR2 CA1 1058/4885CA2 211/4885CA7 2032/4885
US-20190183834-A1 Compounds For The Treatment Of Neuromuscular Disorders RYR1, CACNB1, RYR2 CA1 1058/4885CA2 211/4885CA7 2032/4885
US-11147788-B2 Compounds for the treatment of neuromuscular disorders RYR1, CACNB1, RYR2 CA1 1058/4885CA2 211/4885CA7 2032/4885
US-20040053920-A1 Carbamate caspase inhibitors and uses thereof CASP1, CASP2, CASP3 CA1 38/4885CA2 44/4885CA7 90/4885
US-20190183833-A1 Compounds For The Treatment Of Neuromuscular Disorders RYR1, CACNB1, RYR2 CA1 1058/4885CA2 211/4885CA7 2032/4885

“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.