SCHEMBL4013443

SCHEMBL4013443

OB(O)c1ccccc1C(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.41
ORAI1 Q96D31 1/20 0.35
ORAI2 Q96SN7 1/20 0.35
ORAI3 Q9BRQ5 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
LIPE Q05469 2/20 0.34
MAPT P10636 1/20 0.33
TSHR P16473 2/20 0.31
FAAH O00519 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL29951757 1.00 ENPP2 (0.41) ENPP2ORAI1ORAI2ORAI3LIPG
SCHEMBL29524794 0.80 ENPP2 (0.33) ENPP2GABRA1GABRB2TSHRFAAH
SCHEMBL28949574 0.80 ENPP2 (0.33) ENPP2GABRA1GABRB2TSHRFAAH
SCHEMBL29430856 0.80 GABRA1 (0.54) ENPP2ORAI1ORAI2ORAI3LIPG
SCHEMBL21270 0.80 GABRA1 (0.54) ENPP2ORAI1ORAI2ORAI3LIPG
SCHEMBL29955624 0.79 MAPT (0.33) ENPP2GABRA1GABRB2LIPEMAPT
SCHEMBL2247879 0.78 ENPP2 (0.43) ENPP2ORAI1ORAI2ORAI3LIPG
SCHEMBL29956604 0.77 CYP1A2 (0.32) ENPP2GABRA1GABRB2TSHRFAAH
SCHEMBL15761490 0.76 ENPP2 (0.41) ENPP2ORAI1ORAI2ORAI3LIPG
SCHEMBL29468969 0.76 ENPP2 (0.41) ENPP2ORAI1ORAI2ORAI3LIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115746054-A Bidentate phosphine ligand, preparation method thereof and application of bidentate phosphine ligand in catalyzing enol hydroformylation-hydrogenation reaction to prepare linear alcohol 万华化学集团股份有限公司 2023-03-07 CN claimed
US-20250340563-A1 FUSED PYRIDAZINE DERIVATIVES AS NLRP3 INHIBITORS TAKEDA DEVELOPMENT CENTER AMERICAS, INC. 2025-11-06 US disclosed
US-12264159-B2 Functionalized heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2025-04-01 US disclosed
US-20240262828-A1 Functionalized Heterocycles as Antiviral Agents ENANTA PHARM INC (US) 2024-08-08 US disclosed
US-20240116946-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-04-11 US disclosed
US-11891393-B2 Functionalized heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2024-02-06 US disclosed
WO-2023194964-A1 FUSED PYRIDAZINE DERIVATIVES AS NLRP3 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-12 WO disclosed
US-20230075366-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARM INC (US) 2023-03-09 US disclosed
CN-115746054-A Bidentate phosphine ligand, preparation method thereof and application of bidentate phosphine ligand in catalyzing enol hydroformylation-hydrogenation reaction to prepare linear alcohol 万华化学集团股份有限公司 2023-03-07 CN disclosed
US-11198693-B2 Functionalized heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2021-12-14 US disclosed
EP-2888248-A1 SUBSTITUTED 4-PYRIDONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY Boehringer Ingelheim International GmbH (DE) 2015-07-01 EP disclosed
EP-2888249-A1 SUBSTITUTED 4-PYRIDONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY Boehringer Ingelheim International GmbH (DE) 2015-07-01 EP disclosed
US-20140088117-A1 CYCLIC ETHER PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2014-03-27 US disclosed
US-20140057916-A1 SUBSTITUTED 4-PYRIDONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-27 US disclosed
WO-2014029832-A1 SUBSTITUTED 4-PYRIDONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-27 WO disclosed
WO-2014029831-A1 SUBSTITUTED 4-PYRIDONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-27 WO disclosed
EP-1784393-B1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2009-07-01 EP disclosed
EP-1784393-A1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2007-05-16 EP disclosed
WO-2006028904-A9 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2006-06-22 WO disclosed
WO-2006028904-A1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-03-16 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 (9 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-20240262828-A1 Functionalized Heterocycles as Antiviral Agents HCCS, HAVCR2, HDGF ENPP2 3296/4885ORAI1 3981/4885ORAI2 2761/4885
US-20240116946-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE ENPP2 715/4885ORAI1 1694/4885ORAI2 307/4885
US-11891393-B2 Functionalized heterocycles as antiviral agents HCCS, HAVCR2, HDGF ENPP2 3296/4885ORAI1 3981/4885ORAI2 2761/4885
US-20250340563-A1 FUSED PYRIDAZINE DERIVATIVES AS NLRP3 INHIBITORS NLRP3, NLRP1, NOD1 ENPP2 2293/4885ORAI1 1715/4885ORAI2 3538/4885
US-20140057916-A1 SUBSTITUTED 4-PYRIDONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY SERPINB1, ELANE, SERPINB6 ENPP2 26/4885ORAI1 4565/4885ORAI2 4843/4885
US-20230075366-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HAVCR2, HDGF ENPP2 3296/4885ORAI1 3981/4885ORAI2 2761/4885
US-20140088117-A1 CYCLIC ETHER PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 ENPP2 3033/4885ORAI1 4601/4885ORAI2 4783/4885
US-11198693-B2 Functionalized heterocycles as antiviral agents HCCS, HAVCR2, HDGF ENPP2 3296/4885ORAI1 3981/4885ORAI2 2761/4885
US-12264159-B2 Functionalized heterocycles as antiviral agents HCCS, HAVCR2, HDGF ENPP2 3296/4885ORAI1 3981/4885ORAI2 2761/4885

“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.