Sugi Predict

Sugi Predict / Compounds / SCHEMBL2070116

SCHEMBL2070116

SCHEMBL2070116

CCOC(=O)c1coc(CBr)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.49
▸ NLRP3 Q96P20 1/20 0.44
▸ MAPT P10636 4/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ FBP1 P09467 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CYP2C19 P33261 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ PLK1 P53350 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HPGD P15428 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
SCHEMBL27603649 0.88 CYP1A2 (0.46) CYP1A2NLRP3MAPTALDH1A1NPC1
SCHEMBL9714181 0.87 CYP1A2 (0.51) CYP1A2NLRP3MAPTALDH1A1NPC1
SCHEMBL855444 0.85 CYP1A2 (0.50) CYP1A2NLRP3MAPTALDH1A1NPC1
SCHEMBL3385122 0.84 CYP1A2 (0.49) CYP1A2NLRP3MAPTALDH1A1NPC1
SCHEMBL346006 0.83 CACNA1G (0.42) MAPTFBP1NPSR1
SCHEMBL15932112 0.81 CYP1A2 (0.46) CYP1A2NLRP3MAPTALDH1A1NPC1
SCHEMBL2113445 0.81 CYP1A2 (0.46) CYP1A2NLRP3MAPTALDH1A1NPC1
SCHEMBL31434686 0.80 CYP1A2 (0.45) CYP1A2NLRP3MAPTALDH1A1NPC1
SCHEMBL559854 0.80 CYP1A2 (0.51) CYP1A2NLRP3MAPTALDH1A1NPC1
SCHEMBL2070169 0.80 CYP1A2 (0.55) CYP1A2NLRP3MAPTALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8697883-B2 Cyclopenta[C]pyrrole-2-carboxylate derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-04-15 — — US disclosed
US-20120095040-A1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-04-19 — — US disclosed
US-7906546-B2 Tetrahydrocarbazoles and derivatives HOFFMANN-LA ROCHE INC. (US) 2011-03-15 — — US disclosed
US-20100216833-A1 TETRAHYDROCARBAZOLES AND DERIVATIVES DEHMLOW HENRIETTA 2010-08-26 — — US disclosed
EP-1732892-B1 TETRAHYDROCARBAZOLES AND DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-09-17 — — EP disclosed
US-7193083-B2 Preparation of triazoles by organometallic addition to ketones and intermediates therefor PFIZER, INC. (US) 2007-03-20 — — US disclosed
EP-1732892-A1 TETRAHYDROCARBAZOLES AND DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-12-20 — — EP disclosed
US-20050272747-A1 Preparation of triazoles by organometallic addition to ketones and intermediates therefor PFIZER INC 2005-12-08 — — US disclosed
WO-2005092856-A1 TETRAHYDROCARBAZOLES AND DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-10-06 — — WO disclosed
US-20050215577-A1 Tetrahydrocarbazoles and derivatives HOFFMANN-LA ROCHE INC. 2005-09-29 — — US disclosed
WO-1998054180-A1 NOVEL COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1998-12-03 — — WO disclosed
EP-0871625-A1 PREPARATION OF TRIAZOLES BY ORGANOMETALLIC ADDITION TO KETONES AND INTERMEDIATES THEREFOR Pfizer Research and Development Company, N.V./S.A. (IE) 1998-10-21 — — EP disclosed
US-5719140-A ANALGESICS, PROSTAGLANDIN-E2 ANTAGONISTS G.D. SEARLE & CO. (US) 1998-02-17 — — US disclosed
EP-0821674-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-02-04 — — EP disclosed
EP-0696283-B1 2-, 3-, 4-, 5-, 6-, 7-, 8-, 9- AND/OR 10-SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE SEARLE & CO (US) 1997-09-17 — — EP disclosed
WO-1997006160-A1 PREPARATION OF TRIAZOLES BY ORGANOMETALLIC ADDITION TO KETONES AND INTERMEDIATES THEREFOR PFIZER RESEARCH AND DEVELOPMENT COMPANY, N.V./S.A. (IE) 1997-02-20 — — WO disclosed
WO-1996033175-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-10-24 — — WO disclosed
EP-0696283-A1 2-, 3-, 4-, 5-, 6-, 7-, 8-, 9- AND/OR 10-SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE SEARLE & CO (US) 1996-02-14 — — EP disclosed
US-5395932-A Analgesics, prostaglandin E2 inhibitors G. D. SEARLE & CO. (US) 1995-03-07 — — US disclosed
WO-1994025456-A1 2-, 3-, 4-, 5-, 6-, 7-, 8-, 9- AND/OR 10-SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G.D. SEARLE & CO. (US) 1994-11-10 — — 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-20100216833-A1 TETRAHYDROCARBAZOLES AND DERIVATIVES NR1H3, NR1H2, NR1H4 CYP1A2 227/4885NLRP3 140/4885MAPT 920/4885
US-20050215577-A1 Tetrahydrocarbazoles and derivatives NR1H3, NR1H2, NR1H4 CYP1A2 227/4885NLRP3 140/4885MAPT 920/4885
US-20120095040-A1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF EPOR, ACAD9, CBR1 CYP1A2 1188/4885NLRP3 4271/4885MAPT 3828/4885
US-20050272747-A1 Preparation of triazoles by organometallic addition to ketones and intermediates therefor SLC39A11, IKZF2, IKZF3 CYP1A2 193/4885NLRP3 2683/4885MAPT 4582/4885

“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.