SCHEMBL4386205

SCHEMBL4386205

CCOC(=O)C1CC2C=CC1O2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.38
PTPN1 P18031 1/20 0.38
PPP1CC P36873 1/20 0.38
TSHR P16473 1/20 0.37
CA1 P00915 7/20 0.36
CA2 P00918 7/20 0.36
CA9 Q16790 5/20 0.36
CA12 O43570 5/20 0.36
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL5718171 1.00 PPM1B (0.38) PPM1BPTPN1PPP1CCTSHRCA1
SCHEMBL8836695 1.00 PPM1B (0.38) PPM1BPTPN1PPP1CCTSHRCA1
SCHEMBL8102462 1.00 PPM1B (0.38) PPM1BPTPN1PPP1CCTSHRCA1
SCHEMBL11907582 0.90 NPC1 (0.34) PPM1BPTPN1PPP1CCALDH1A1GAA
SCHEMBL11909862 0.88
SCHEMBL11907282 0.87 PPM1B (0.41) PPM1BPTPN1PPP1CCALDH1A1HPGD
SCHEMBL10502396 0.84 ALDH1A1 (0.37) PPM1BPTPN1PPP1CCTSHRKDM4E
SCHEMBL11907446 0.84
SCHEMBL11908120 0.83 TSHR (0.33) TSHRALDH1A1
SCHEMBL10503552 0.82 NAAA (0.39) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170217902-A1 PYRAZOLE COMPOUND NEUROINNOVATECH APS (DK) 2017-08-03 US disclosed
US-20170217902-A1 PYRAZOLE COMPOUND NEUROINNOVATECH APS (DK) 2017-08-03 US disclosed
US-9663472-B2 Pyrazole compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-05-30 US disclosed
US-9663472-B2 Pyrazole compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-05-30 US disclosed
US-9458152-B2 Bicyclic sulfonamide compounds as sodium channel inhibitors AMGEN INC. (US) 2016-10-04 US disclosed
EP-2594559-B1 PYRAZOLE COMPOUND SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2016-02-24 EP disclosed
US-9212182-B2 Bicyclic sulfonamide compounds as sodium channel inhibitors AMGEN INC. (US) 2015-12-15 US disclosed
US-9212182-B2 Bicyclic sulfonamide compounds as sodium channel inhibitors AMGEN INC. (US) 2015-12-15 US disclosed
WO-2014201206-A1 BICYCLIC SULFONAMIDE COMPOUNDS AS SODIUM CHANNEL INHIBITORS AMGEN INC. (US) 2014-12-18 WO disclosed
US-20140371201-A1 BICYCLIC SULFONAMIDE COMPOUNDS AS SODIUM CHANNEL INHIBITORS AMGEN INC. 2014-12-18 US disclosed
US-6790964-B1 HYDROXY OR ALKOXY IN THE 5-POSITION; DECYCLIZATION OF A 5-HYDROXY-7- OXABICYCLO(4.1.0)HEPT-2-ENE-3-CARBOXYLATE WITH AN AMINE TO GIVE AMINODIOL, SULFONYLATING, REACTION WITH ALCOHOL; SAGAMI CHEMICAL RESEARCH CENTER (JP) 2004-09-14 US disclosed
EP-1229022-B1 PROCESS FOR THE PREPARATION OF 7-AZABICYCLO (4.1.0)-HEPT-3-ENE-3-CARBOXYLIC ACID ESTERS SAGAMI CHEM RES (JP) 2004-05-19 EP disclosed
EP-1229022-A1 PROCESS FOR THE PREPARATION OF 7-AZABICYCLO 4.1.0]-HEPT-3-ENE-3-CARBOXYLIC ACID ESTERS SAGAMI CHEMICAL RESEARCH CENTER (JP) 2002-08-07 EP disclosed
US-6403824-B2 NEURAMINIDASE INHIBITORS HOFFMANN-LA ROCHE INC. 2002-06-11 US disclosed
US-20020006960-A1 Process for the preparation fo 4,5-diamino shikimic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 2002-01-17 US disclosed
EP-1127872-A1 Tamiflu via Diels-Alder F. HOFFMANN-LA ROCHE AG (CH) 2001-08-29 EP disclosed
US-5641784-A ADENOSINE ANTAGONISTS; TREATMENT OF NERVOUS SYSTEM DISORDERS, ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM KG (DE) 1997-06-24 US disclosed
EP-0104584-B1 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED ACRYLAMIDE Chemische Fabrik Stockhausen GmbH (DE) 1986-09-03 EP disclosed
US-4605740-A Process for the production of N-substituted acrylic acid amides CHEMISCHE FABRIK STOCKHAUSEN GMBH (DE) 1986-08-12 US disclosed
EP-0104584-A1 Process for the preparation of N-substituted acrylamide Chemische Fabrik Stockhausen GmbH (DE) 1984-04-04 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 (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-20170217902-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A PPM1B 2947/4885PTPN1 2801/4885PPP1CC 3120/4885
US-20140371201-A1 BICYCLIC SULFONAMIDE COMPOUNDS AS SODIUM CHANNEL INHIBITORS SCN7A, TRPV1, TRPV5 PPM1B 2062/4885PTPN1 1140/4885PPP1CC 671/4885
US-20020006960-A1 Process for the preparation fo 4,5-diamino shikimic acid derivatives NEU4, FUT4, NEU1 PPM1B 2624/4885PTPN1 3014/4885PPP1CC 4134/4885

“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.