SCHEMBL3364798

SCHEMBL3364798

O=P(O)(O)Cc1ccc(CBr)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 8/20 0.55
PGK2 P07205 8/20 0.55
ENPP2 Q13822 2/20 0.50
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
PTPRB P23467 2/20 0.41
DGAT2 Q96PD7 1/20 0.40
TRPA1 O75762 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
ACP3 P15309 1/20 0.40

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
SCHEMBL1617420 0.87 PGK1 (0.67) PGK1PGK2ENPP2PTPRBDGAT2
SCHEMBL27635376 0.82 ENPP2 (0.56) PGK1PGK2ENPP2PTPRBDGAT2
SCHEMBL1823591 0.81 PGK1 (0.55) PGK1PGK2ENPP2PTPRB
SCHEMBL22973707 0.81 PGK1 (0.61) PGK1PGK2PTPRBACP3
SCHEMBL9407120 0.80 PGK1 (0.59) PGK1PGK2ENPP2PTPRBACP3
SCHEMBL11043660 0.79 PGK1 (0.53) PGK1PGK2ENPP2PTPRB
SCHEMBL3361713 0.79 PGK1 (0.56) PGK1PGK2PTPRBACP3
SCHEMBL28212706 0.78 PGK1 (0.61) PGK1PGK2ENPP2PTPRBDGAT2
SCHEMBL915744 0.78 PGK1 (0.57) PGK1PGK2ENPP2PTPRB
SCHEMBL22973715 0.77 GRIN2D (0.47) ENPP2CES2CES1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023242631-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LEGOCHEM BIOSCIENCES, INC. (KR) 2023-12-21 WO disclosed
CN-110317230-B Phosphate derivatives and use thereof 上海昇悦医药科技有限公司 2023-11-07 CN disclosed
US-11053267-B2 Electrochromic compound, electrochromic composition, and display element RICOH COMPANY, LTD. (JP) 2021-07-06 US disclosed
US-10988684-B2 Electrochromic compound, electrochromic composition, electrochromic element, and electrochromic dimming element RICOH COMPANY, LTD. (JP) 2021-04-27 US disclosed
EP-3778612-A1 PHOSPHATE DERIVATIVES AND USE THEREOF Zhu, Qing (CN) 2021-02-17 EP disclosed
US-20200216478-A1 ELECTROCHROMIC COMPOUND, ELECTROCHROMIC COMPOSITION, AND DISPLAY ELEMENT SAGISAKA TOSHIYA (JP) 2020-07-09 US disclosed
EP-3268448-B1 ELECTROCHROMIC COMPOUND, ELECTROCHROMIC COMPOSITION, ELECTROCHROMIC ELEMENT, AND ELECTROCHROMIC DIMMING ELEMENT RICOH CO LTD (JP) 2020-06-03 EP disclosed
US-10626133-B2 Electrochromic compound, electrochromic composition, and display element RICOH COMPANY, LTD. (JP) 2020-04-21 US disclosed
CN-110317230-A Phosphoric acid salt derivative and application thereof 朱青 2019-10-11 CN disclosed
US-20190031694-A1 ELECTROCHROMIC COMPOUND, ELECTROCHROMIC COMPOSITION, AND DISPLAY ELEMENT SAGISAKA TOSHIYA (JP) 2019-01-31 US disclosed
WO-2005064008-A9 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES INC (US) 2006-09-28 WO disclosed
CN-1780630-A Phosphonate compounds having immunomodulatory activity GILEAD SCIENCES INC (US) 2006-05-31 CN disclosed
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds GILEAD SCIENCES. INC. 2005-10-27 US disclosed
US-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. 2005-09-22 US disclosed
WO-2005064008-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-07-14 WO disclosed
EP-1509537-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2005-03-02 EP disclosed
WO-2003090690-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2003-11-06 WO disclosed
EP-1115729-B1 PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PTP-1B MERCK FROSST CANADA INC (CA) 2003-02-19 EP disclosed
US-6174874-B1 ANTIDIABETIC,-CARCINOGENIC AGENTS; IMPROVING GLUCOSE TOLERANCE/INSULIN-SENSITIVITY; PREVENTING/TREATING OBESITY AND NEURODEGENERATIVE DISEASES; E.G. 1,3-BIS-((PHOSPHONODI-FLUOROMETHYL)PHENYL)-2-DICARBOXYPROPANE MERCK FROSST CANADA & CO. (CA) 2001-01-16 US disclosed
EP-0421436-A2 Substituted carboxytetrahydroisoquinolines and derivatives thereof having pharmaceutical activity WARNER-LAMBERT COMPANY (US) 1991-04-10 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 (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-20190031694-A1 ELECTROCHROMIC COMPOUND, ELECTROCHROMIC COMPOSITION, AND DISPLAY ELEMENT ANTXR2, SCN11A, H1-4 PGK1 4198/4885PGK2 3420/4885ENPP2 382/4885
US-10626133-B2 Electrochromic compound, electrochromic composition, and display element ANTXR2, SCN11A, H1-4 PGK1 4198/4885PGK2 3420/4885ENPP2 382/4885
US-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds PPA1, PPME1, PNP PGK1 36/4885PGK2 148/4885ENPP2 1130/4885
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds CES1, PNP, PGLS PGK1 172/4885PGK2 577/4885ENPP2 1093/4885
US-20200216478-A1 ELECTROCHROMIC COMPOUND, ELECTROCHROMIC COMPOSITION, AND DISPLAY ELEMENT SCN11A, H1-10, H1-2 PGK1 4229/4885PGK2 3471/4885ENPP2 447/4885
US-11053267-B2 Electrochromic compound, electrochromic composition, and display element SCN11A, H1-10, H1-2 PGK1 4229/4885PGK2 3471/4885ENPP2 447/4885
US-10988684-B2 Electrochromic compound, electrochromic composition, electrochromic element, and electrochromic dimming element ETV6, AP2M1, KCNH3 PGK1 1704/4885PGK2 1382/4885ENPP2 1528/4885

“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.