SCHEMBL10934770

SCHEMBL10934770

CC(C)CN(C)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
PIK3CD O00329 1/20 0.38
BHMT Q93088 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
EYA2 O00167 1/20 0.36
APP P05067 1/20 0.36
ACE P12821 1/20 0.36
MVD P53602 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
CHRM2 P08172 1/20 0.35
ADRA2A P08913 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
DRD1 P21728 1/20 0.35
SLC6A2 P23975 1/20 0.35

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
SCHEMBL15331219 0.83 BHMT (0.37) BHMTTDP1EYA2APPACE
SCHEMBL22693656 0.83 BHMT (0.37) BHMTTDP1EYA2APPACE
SCHEMBL10044471 0.80 ALDH1A1 (0.42) CA12CA1CA2CA9PIK3CD
SCHEMBL12448092 0.78 CA1 (0.38) CA12CA1CA2CA9PIK3CD
SCHEMBL12977350 0.78 CA1 (0.38) CA12CA1CA2CA9PIK3CD
SCHEMBL8417238 0.78 CA1 (0.38) CA12CA1CA2CA9PIK3CD
SCHEMBL22061 0.78 TDP1 (0.47) BHMTTDP1EYA2APPACE
SCHEMBL16941101 0.78 BHMT (0.45) BHMTTDP1EYA2APPACE
SCHEMBL20158619 0.78 TDP1 (0.52) CA12CA1CA2CA9PIK3CD
SCHEMBL16576609 0.78 TDP1 (0.41) CA12CA1CA2CA9PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118684592-A Tetracycline derivatives, preparation method thereof and application thereof in antibacterial aspect 中国医学科学院药物研究所 2024-09-24 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2021-06-15 US disclosed
US-10774071-B2 PD-1/PD-L1 inhibitors GILEAD SCIENCES, INC. (US) 2020-09-15 US disclosed
US-20200017471-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2020-01-16 US disclosed
US-9809621-B2 Stable peptide-based PACE4 inhibitors SOCPRA SCIENCES SANTÉ ET HUMAINES S.E.C. (CA) 2017-11-07 US disclosed
US-20150218110-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-08-06 US disclosed
US-20150218110-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-08-06 US disclosed
US-20150141324-A1 STABLE PEPTIDE-BASED FURIN INHIBITORS SOCPRA Sciences Sante et Humaines S.E.C. (CA) 2015-05-21 US disclosed
US-20140206622-A1 STABLE PEPTIDE-BASED PACE4 INHIBITORS SOCPRA Sciences Sante et Humaines S.E.C. (CA) 2014-07-24 US disclosed
WO-2014066936-A9 SUPRAMOLECULAR STRUCTURE MONASH UNIVERSITY (AU) 2014-07-10 WO disclosed
WO-2014066936-A1 SUPRAMOLECULAR STRUCTURE MONASH UNIVERSITY (AU) 2014-05-08 WO disclosed
US-8268827-B2 Pyridazinone derivatives as PARP inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA. (IT) 2012-09-18 US disclosed
US-20100261709-A1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS MSD ITALIA S.R.L. (IT) 2010-10-14 US disclosed
EP-0081301-B1 A STERICALLY HINDERED AMINO ACID PROMOTED ACID GAS SCRUBBING PROCESS EXXON RESEARCH AND ENGINEERING COMPANY (US) 1985-08-28 EP disclosed
US-4405579-A CARBON DIOXIDE, ABSORPTION EXXON RESEARCH AND ENGINEERING CO. (US) 1983-09-20 US disclosed
EP-0081301-A1 A sterically hindered amino acid promoted acid gas scrubbing process EXXON RESEARCH AND ENGINEERING COMPANY (US) 1983-06-15 EP 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 (7 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-10774071-B2 PD-1/PD-L1 inhibitors PDCD1, CD274, PDCD1LG2 CA12 1897/4885CA1 2634/4885CA2 3798/4885
US-20150141324-A1 STABLE PEPTIDE-BASED FURIN INHIBITORS FURIN, PREP, VIP CA12 1511/4885CA1 1473/4885CA2 3785/4885
US-20140206622-A1 STABLE PEPTIDE-BASED PACE4 INHIBITORS FURIN, DNPEP, PRAP1 CA12 3894/4885CA1 4206/4885CA2 4541/4885
US-20150218110-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS GABBR1, GABRA1, GABRA6 CA12 4515/4885CA1 3378/4885CA2 1196/4885
US-20100261709-A1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP3 CA12 4884/4885CA1 4879/4885CA2 4846/4885
US-20200017471-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 CA12 1897/4885CA1 2634/4885CA2 3798/4885
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 CA12 3445/4885CA1 2164/4885CA2 2228/4885

“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.