Sugi Predict

Sugi Predict / Compounds / SCHEMBL71975

SCHEMBL71975

SCHEMBL71975

CCOC(=O)C=C1CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTDSP1 Q9GZU7 1/20 0.49
▸ CACNA2D1 P54289 3/20 0.48
▸ CACNB1 Q02641 3/20 0.48
▸ CACNA1A O00555 1/20 0.48
▸ OPRD1 P41143 1/20 0.48
▸ NPSR1 Q6W5P4 3/20 0.47
▸ NOD2 Q9HC29 1/20 0.47
▸ MAPT P10636 2/20 0.45
▸ MDM4 O15151 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MDM2 Q00987 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ MMP8 P22894 1/20 0.44
▸ CACNA1B Q00975 2/20 0.44
▸ CACNA1C Q13936 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CACNA1H O95180 1/20 0.43

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
SCHEMBL15415069 0.84 CYP2D6 (0.48) CACNA2D1CACNB1OPRD1NPSR1MAPT
SCHEMBL17726461 0.80 KMT2A (0.50) OPRD1NPSR1NOD2MAPTLMNA
SCHEMBL8495166 0.79 KMT2A (0.54) CACNA2D1CACNB1OPRD1NPSR1MAPT
SCHEMBL7260255 0.78 ALDH1A1 (0.51) CACNA2D1CACNB1OPRD1NPSR1MAPT
SCHEMBL13798112 0.76 KMT2A (0.46) CACNA2D1CACNB1CACNA1AOPRD1NPSR1
SCHEMBL13600016 0.76 CACNA2D1 (0.50) CACNA2D1CACNB1CACNA1AOPRD1NPSR1
SCHEMBL13349263 0.75 CACNA2D1 (0.44) CACNA2D1CACNB1CACNA1AOPRD1NPSR1
SCHEMBL13349262 0.75 OPRD1 (0.44) CACNA2D1CACNB1CACNA1AOPRD1NPSR1
SCHEMBL9819007 0.75 CTDSP1 (0.43) CTDSP1CACNA2D1CACNB1CACNA1AOPRD1
SCHEMBL2674926 0.73 ESR2 (0.42) CTDSP1NPSR1MAPTLMNAMDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3604305-B1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF WAKUNAGA PHARMA CO LTD (JP) 2024-08-28 — — EP disclosed
CN-110520422-B Novel pyridonecarboxylic acid derivative or salt thereof 涌永制药株式会社 2023-09-05 — — CN disclosed
US-11286255-B2 Pyridone carboxylic acid derivative or salt thereof WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2022-03-29 — — US disclosed
US-20200062752-A1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2020-02-27 — — US disclosed
EP-3604305-A1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF Wakunaga Pharmaceutical Co., Ltd. (JP) 2020-02-05 — — EP disclosed
EP-1961750-B1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO CO LTD (JP) 2013-09-18 — — EP disclosed
US-20130065882-A1 VLA-4 inhibitory drug MACHINAGA NOBUO (JP) 2013-03-14 — — US disclosed
US-20130065882-A1 VLA-4 inhibitory drug MACHINAGA NOBUO (JP) 2013-03-14 — — US disclosed
US-20130065882-A1 VLA-4 inhibitory drug MACHINAGA NOBUO (JP) 2013-03-14 — — US disclosed
US-20120157437-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-21 — — US disclosed
EP-1961750-A1 VLA-4 INHIBITORY DRUG Daiichi Sankyo Company, Limited (JP) 2008-08-27 — — EP disclosed
EP-1939205-A1 TRICYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-07-02 — — EP disclosed
US-20050096297-A1 Antibacterial agents ELLSWORTH EDMUND L (US) 2005-05-05 — — US disclosed
US-20050096308-A1 Antibacterial agents ELLSWORTH EDMUND L (US) 2005-05-05 — — US disclosed
WO-2005026153-A1 QUINAZOLINE-2, 4-DIONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-03-24 — — WO disclosed
WO-2005026146-A1 AZETIDINYL QUINOLONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-03-24 — — WO disclosed
EP-1196169-A4 COMPOUNDS HAVING CYTOKINE INHIBITORY ACTIVITY MERCK & CO INC (US) 2003-04-02 — — EP disclosed
EP-1196169-A1 COMPOUNDS HAVING CYTOKINE INHIBITORY ACTIVITY Merck & Co., Inc. (US) 2002-04-17 — — EP disclosed
US-6291457-B1 SUBSTITUTED IMIDAZOLE COMPOUNDS MERCK & CO., INC. 2001-09-18 — — US disclosed
WO-2001001988-A1 COMPOUNDS HAVING CYTOKINE INHIBITORY ACTIVITY MERCK & CO., INC. (US) 2001-01-11 — — 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-20120157437-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 CTDSP1 3887/4885CACNA2D1 413/4885CACNB1 289/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 CTDSP1 3850/4885CACNA2D1 306/4885CACNB1 312/4885
US-20200062752-A1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF RAB10, HDAC10, NEK10 CTDSP1 2503/4885CACNA2D1 3906/4885CACNB1 3893/4885
US-11286255-B2 Pyridone carboxylic acid derivative or salt thereof RARA, RAB10, RABL6 CTDSP1 2318/4885CACNA2D1 3902/4885CACNB1 3976/4885
US-20050096297-A1 Antibacterial agents MRPL21, RPN2, FBL CTDSP1 2327/4885CACNA2D1 4140/4885CACNB1 3837/4885
US-20050096308-A1 Antibacterial agents MRPL21, RPN2, FBL CTDSP1 2327/4885CACNA2D1 4140/4885CACNB1 3837/4885

“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.