SCHEMBL2048461

SCHEMBL2048461

C=CCC(C)(C)C(C(=O)OCC)C(=O)OCC

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 4/20 0.35
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 1/20 0.33
ALOX15 P16050 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SOAT1 P35610 1/20 0.32
MMP8 P22894 1/20 0.32
PKM P14618 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
POLB P06746 1/20 0.31
CPB2 Q96IY4 1/20 0.31
TSHR P16473 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
SCHEMBL26711237 0.81 L3MBTL1 (0.37) SMN1; SMN2ALDH1A1NPSR1LMNAL3MBTL1
SCHEMBL7213719 0.77 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL16237398 0.77 ALOX15 (0.37) SMN1; SMN2ALDH1A1NPSR1LMNAHSD17B10
SCHEMBL7207341 0.76 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1NPSR1LMNAL3MBTL1
SCHEMBL26679638 0.75 TSHR (0.34) ALDH1A1TSHR
SCHEMBL19125385 0.74 GAA (0.35) SMN1; SMN2ALDH1A1HSD17B10ALOX15MGAM
SCHEMBL10684759 0.74 MGAM (0.41) ALDH1A1LMNAL3MBTL1HSD17B10ALOX15
SCHEMBL27163599 0.73 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1NPSR1LMNAL3MBTL1
SCHEMBL3977030 0.72 PKM (0.44) SMN1; SMN2ALDH1A1NPSR1LMNAHSD17B10
SCHEMBL7668553 0.72 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1LMNAL3MBTL1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4562014-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME Cedilla Therapeutics, Inc. (US) 2025-06-04 EP disclosed
WO-2024026479-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
WO-2024026479-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-11-14 US disclosed
EP-4225765-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
CN-116601158-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-08-15 CN disclosed
US-20220380380-A1 MACROCYCLIC COMPOUNDS FOR THE TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2022-12-01 US disclosed
WO-2022076622-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
WO-2022076622-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
EP-2331552-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-02-27 EP disclosed
EP-2331552-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2011-06-15 EP disclosed
WO-2010036551-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-01 WO disclosed
WO-2010036551-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-01 WO disclosed
US-20100080770-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 US disclosed
US-20100080770-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 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 (3 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-20100080770-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL SMN1; SMN2 4675/4885ALDH1A1 623/4885NPSR1 4210/4885
US-20220380380-A1 MACROCYCLIC COMPOUNDS FOR THE TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH SMN1; SMN2 2986/4885ALDH1A1 4659/4885NPSR1 3063/4885
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders CFD, TFPI, CFH SMN1; SMN2 2986/4885ALDH1A1 4659/4885NPSR1 3063/4885

“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.