SCHEMBL3856515

SCHEMBL3856515

CCC(O)(CC)c1ccc(OC)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
CASP1 P29466 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CA2 P00918 3/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 1/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
ACHE P22303 1/20 0.42
CYP1A2 P05177 1/20 0.41

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
SCHEMBL15059172 0.87 CYP19A1 (0.50)
SCHEMBL13293827 0.85 CASP1 (0.38) L3MBTL1CASP1HSD17B10CA2CNR1
SCHEMBL8320013 0.85 ESR1 (0.45) CNR1CNR2KDM4E
SCHEMBL1525445 0.85 MAOB (0.50) MEN1KMT2ALMNAGAACYP1A2
SCHEMBL1525371 0.83 DRD2 (0.47) L3MBTL1CASP1HSD17B10CNR1CNR2
SCHEMBL14582859 0.82 PDCD1 (0.44) L3MBTL1CNR1CNR2HTTGAA
SCHEMBL1525558 0.82 CA5A (0.41) L3MBTL1CA2MEN1KMT2ACA1
SCHEMBL3242065 0.82 NPC1 (0.56) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL13672823 0.81 VDR (0.59) L3MBTL1MEN1KMT2AHTTTSHR
SCHEMBL11436624 0.80 CNR1 (0.43) L3MBTL1CASP1HSD17B10CA2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9408852-B2 Method of lowering serum uric acid levels with (S)-tofisopam PHARMOS CORPORATION (US) 2016-08-09 US disclosed
US-9408852-B2 Method of lowering serum uric acid levels with (S)-tofisopam PHARMOS CORPORATION (US) 2016-08-09 US disclosed
US-20130045966-A1 Method of Lowering Serum Uric Acid Levels With (S)-Tofisopam PHARMOS CORPORATION (US) 2013-02-21 US disclosed
US-20130045966-A1 Method of Lowering Serum Uric Acid Levels With (S)-Tofisopam PHARMOS CORPORATION (US) 2013-02-21 US disclosed
EP-1581206-A4 TREATMENT OF INFLAMMATORY DISORDERS WITH 2,3-BENZODIAZEPINES VELA ACQUISITION CORP (US) 2009-01-07 EP disclosed
EP-1575521-A4 PHARMACEUTICAL COMPOSITION OF 1-(3-HYDROXY-4-METHOXYPHENYL)-4-METHYL-5-ETHYL-7,8-DIMETHOXY-5H-2,3-BENZODIAZEPINE AND USES THEROF VELA ACQUISITION CORP (US) 2008-04-30 EP disclosed
EP-1567162-A4 TREATMENT OF IRRITABLE BOWEL SYNDROME AND NONULCER DYSPEPSIA WITH SUBSTITUTED 2,3-BENZODIAZEPINES VELA ACQUISITION CORP (US) 2008-04-30 EP disclosed
US-20070032479-A1 Treatment of inflammatory disorders of the epithelium with low dose 2,3-benzodiazepines VELA ACQUISITION CORPORATION 2007-02-08 US disclosed
US-20070032479-A1 Treatment of inflammatory disorders of the epithelium with low dose 2,3-benzodiazepines VELA ACQUISITION CORPORATION 2007-02-08 US disclosed
EP-1689408-A1 TREATMENT OF INFLAMMATORY DISORDERS OF THE EPITHELIUM WITH LOW DOSE 2,3-BENZODIAZEPINES Vela Pharmaceuticals Inc. (US) 2006-08-16 EP disclosed
WO-2004069155-A2 PHARMACEUTICAL COMPOSITION OF 1-(3-HYDROXY-4-METHOXYPHENYL)-4-METHYL-5-ETHYL-7,8-DIMETHOXY-5H-2,3-BENZODIAZEPINE AND USES THEROF VELA PHARMACEUTICALS, INC. (US) 2004-08-19 WO disclosed
US-20040152695-A1 Pharmaceutical composition of 1-(3-hydroxy-4-methoxyphenyl)-4-methyl-5-ethyl-7,8-dimethoxy-5H-2,3-benzodiazepine and uses thereof VELA PHARMACEUTICALS, INC. 2004-08-05 US disclosed
US-20040138209-A1 Treatment of inflammatory disorders with 2,3- benzodiazepines VELA PHARMACEUTICALS, INC. 2004-07-15 US disclosed
US-20040138210-A1 Method of increasing neutrophil production using 2,3-benzodiazepines VELA PHARMACEUTICALS, INC. 2004-07-15 US disclosed
WO-2004050080-A1 TREATMENT OF INFLAMMATORY DISORDERS WITH 2,3-BENZODIAZEPINES VELA PHARMACEUTICALS, INC. (US) 2004-06-17 WO disclosed
WO-2004050616-A2 TREATMENT OF IRRITABLE BOWEL SYNDROME AND NONULCER DYSPEPSIA WITH SUBSTITUTED 2,3-BENZODIAZEPINES VELA PHARMACEUTICALS, INC. (US) 2004-06-17 WO disclosed
WO-2004050615-A2 METHOD OF INCREASING NEUTROPHIL PRODUCTION USING 2,3-BENZODIAZEPINES VELA PHARMACEUTICALS, INC. (US) 2004-06-17 WO disclosed
US-20040106602-A1 Treatment of LTB4-mediated inflammatory disorders with optically-pure (R)-2,3-benzodiazepines VELA ACQUISITION CORPORATION 2004-06-03 US disclosed
US-20040106601-A1 Method of increasing neutrophil production using optically-pure (R)-2,3-benzodiazepines VELA ACQUISITION CORPORATION 2004-06-03 US disclosed
US-6638928-B1 Benzodiazepines administered for irritable bowel syndrome and nonulcer dyspepsia. VELA PHARMACEUTICALS, INC. 2003-10-28 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 (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-20040138209-A1 Treatment of inflammatory disorders with 2,3- benzodiazepines LTB4R2, LTB4R, GABRA4 L3MBTL1 2232/4885CASP1 598/4885HSD17B10 445/4885
US-20040106602-A1 Treatment of LTB4-mediated inflammatory disorders with optically-pure (R)-2,3-benzodiazepines LTB4R2, LTB4R, PTGER4 L3MBTL1 2234/4885CASP1 1033/4885HSD17B10 470/4885
US-20040152695-A1 Pharmaceutical composition of 1-(3-hydroxy-4-methoxyphenyl)-4-methyl-5-ethyl-7,8-dimethoxy-5H-2,3-benzodiazepine and uses thereof GABRA4, GABRA2, GABRB2 L3MBTL1 4111/4885CASP1 3656/4885HSD17B10 438/4885
US-20040106601-A1 Method of increasing neutrophil production using optically-pure (R)-2,3-benzodiazepines OPRL1, OPRD1, GABRR1 L3MBTL1 4497/4885CASP1 1224/4885HSD17B10 1054/4885
US-20070032479-A1 Treatment of inflammatory disorders of the epithelium with low dose 2,3-benzodiazepines GABBR2, GABBR1, GABRB3 L3MBTL1 2769/4885CASP1 754/4885HSD17B10 958/4885
US-20040138210-A1 Method of increasing neutrophil production using 2,3-benzodiazepines GABRR1, GABRA1, GABRA3 L3MBTL1 3706/4885CASP1 844/4885HSD17B10 1293/4885
US-20130045966-A1 Method of Lowering Serum Uric Acid Levels With (S)-Tofisopam ATIC, NPPA, XPNPEP1 L3MBTL1 1151/4885CASP1 802/4885HSD17B10 3173/4885

“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.