SCHEMBL2115284

SCHEMBL2115284

Cc1ccc(S(=O)(=O)CC2COC(C)(C)O2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.45
CA2 P00918 2/20 0.44
ALDH1A1 P00352 7/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MMP2 P08253 3/20 0.40
MMP9 P14780 2/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TSHR P16473 1/20 0.40
AOC2 O75106 3/20 0.39
MAOB P27338 2/20 0.39
MMP1 P03956 1/20 0.39
HTT P42858 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL2115280 1.00 CRBN (0.45) CRBNCA2ALDH1A1NPSR1CYP3A4
SCHEMBL27802097 0.98 CRBN (0.44) CRBNCA2ALDH1A1NPSR1CYP3A4
SCHEMBL22541108 0.87 ALDH1A1 (0.46) CRBNCA2ALDH1A1NPSR1CYP3A4
SCHEMBL10759616 0.82 MMP9 (0.41) CA2ALDH1A1NPSR1CYP3A4MEN1
SCHEMBL10759604 0.82 CA2 (0.42) CA2ALDH1A1CYP3A4MEN1KMT2A
SCHEMBL10756282 0.82 MMP9 (0.41) CA2ALDH1A1NPSR1CYP3A4MEN1
SCHEMBL10754508 0.82 CA2 (0.42) CA2ALDH1A1CYP3A4MEN1KMT2A
SCHEMBL10759609 0.82 MMP9 (0.41) CA2ALDH1A1NPSR1CYP3A4MEN1
SCHEMBL10754514 0.82 MMP9 (0.41) CA2ALDH1A1NPSR1CYP3A4MEN1
SCHEMBL10756278 0.82 MMP9 (0.41) CA2ALDH1A1NPSR1CYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
EP-2523957-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2012-11-21 EP disclosed
CN-102712640-A Tricyclic heterocyclic compounds, compositions and methods of use thereof HOFFMANN LA ROCHE 2012-10-03 CN disclosed
US-8158663-B2 N-[2-thiazolylidene- or 2-oxazolylidene]carbo- or heterocyclecarboxyamides, e.g., 5-chloro-2-methoxy-N-[(2Z)-3-(2-methoxyethyl)-5,5-dimethyl-1,3-thiazolidin-2-ylidene]benzamide; treating neuropathic, nociceptive, and inflammatory pain and immune, respiratory, and cardiovascular disorders ABBOTT LABORATORIES (US) 2012-04-17 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
WO-2011086053-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 WO disclosed
WO-2008079687-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2008-07-03 WO disclosed
US-20080153883-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2008-06-26 US disclosed
US-20030144319-A1 Subtype-selective NMDA receptor ligands and the use thereof BIGGE CHRISTOPHER F (US) 2003-07-31 US disclosed
US-6534522-B2 E.g.,N-((4-amino-3-nitrophenoxy)ethyl)-1,2,3,4-tetrahydro -isoquinoline; stroke; antiischemic agents; CNS trauma, hyperglycemic agents; surgery; neurodegenerative diseases including Alzheimer's disease, amyotrophic lateral sclerosis WARNER-LAMBERT COMPANY 2003-03-18 US disclosed
US-20010051633-A1 Subtype-selective NMDA receptor ligands and the use thereof BIGGE CHRISTOPHER F (US) 2001-12-13 US disclosed
US-6218404-B1 THERAPY AND PROPHYLAXIS OF NEURONAL LOSS ASSOCIATED WITH STROKE, ISCHEMIA, CNS TRAUMA, HYPOGLYCEMIA AND SURGERY, NEURO-DEGENERATIVE DISEASES INCLUDING ALZHEIMER'S DISEASE, AMYOTROPHIC LATERAL SCLEROSIS, HUNTINGTON'S DISEASE WARNER-LAMBERT CO. 2001-04-17 US disclosed
WO-1997023458-A1 SUBTYPE-SELECTIVE NMDA RECEPTOR LIGANDS AND THE USE THEREOF WARNER-LAMBERT COMPANY (US) 1997-07-03 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 (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-20030144319-A1 Subtype-selective NMDA receptor ligands and the use thereof OPRK1, OPRD1, OPRL1 CRBN 2574/4885CA2 2093/4885ALDH1A1 2672/4885
US-20010051633-A1 Subtype-selective NMDA receptor ligands and the use thereof OPRK1, OPRD1, OPRL1 CRBN 2574/4885CA2 2093/4885ALDH1A1 2672/4885
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 CRBN 1160/4885CA2 3337/4885ALDH1A1 1168/4885
US-20080153883-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, GPR18 CRBN 1240/4885CA2 3838/4885ALDH1A1 1654/4885

“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.