SCHEMBL2340536

SCHEMBL2340536

N#CCc1ccccc1B(O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.48
ENPP2 Q13822 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
LIPE Q05469 1/20 0.35
FFAR1 O14842 3/20 0.35
FFAR4 Q5NUL3 1/20 0.35
CYP1A1 P04798 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP1B1 Q16678 1/20 0.34
ORAI1 Q96D31 1/20 0.32
ORAI2 Q96SN7 1/20 0.32
ORAI3 Q9BRQ5 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2A6 P11509 1/20 0.32
HTR1A P08908 1/20 0.32

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
SCHEMBL29489866 1.00 LIPG (0.48) LIPGENPP2ALDH1A1HPGDLIPE
SCHEMBL29809738 0.77 ALDH1A1 (0.56) ENPP2ALDH1A1HPGDFFAR1FFAR4
SCHEMBL1945874 0.77 ALDH1A1 (0.56) ENPP2ALDH1A1HPGDFFAR1FFAR4
SCHEMBL3229542 0.76 ALDH1A1 (0.33) LIPGALDH1A1HPGD
Water SCHEMBL3179940 0.76 LIPG (0.53) LIPGENPP2LIPEORAI1ORAI2
SCHEMBL20519418 0.73 GPBAR1 (0.36) ENPP2KMT2ACYP2A6
SCHEMBL29468961 0.73 LIPG (0.61) LIPGENPP2ALDH1A1LIPE
SCHEMBL8530 0.73 LIPG (0.55) LIPGENPP2LIPEORAI1ORAI2
SCHEMBL410387 0.73 LIPG (0.61) LIPGENPP2ALDH1A1LIPE
SCHEMBL29377890 0.73 LIPG (0.55) LIPGENPP2LIPEORAI1ORAI2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873309-B2 Heterocyclic compounds as immunomodulators INCYTE CORPORATION (US) 2024-01-16 US disclosed
EP-4137489-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS Incyte Corporation (US) 2023-02-22 EP disclosed
CN-109890819-B Heterocyclic compounds as immunomodulators 因赛特公司 2022-11-22 CN disclosed
US-20220363709-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENE THERAPEUTICS LIMITED (CN) 2022-11-17 US disclosed
EP-3472167-B1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORP (US) 2022-08-03 EP disclosed
EP-3986894-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF Calithera Biosciences, Inc. (US) 2022-04-27 EP disclosed
CN-114008048-A Exonucleotidase inhibitors and methods of use thereof 卡利泰拉生物科技公司 2022-02-01 CN disclosed
US-20210317139-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2021-10-14 US disclosed
WO-2020257429-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF CALITHERA BIOSCIENCES, INC. (US) 2020-12-24 WO disclosed
EP-3472167-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS Incyte Corporation (US) 2019-04-24 EP disclosed
WO-2009029439-A1 SUBSTITUTED PIPERAZINYL PYRAZINES AND PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2009-03-05 WO disclosed
WO-2008039882-A1 A COMBINATION OF NIACIN AND A PROSTAGLANDIN D2 RECEPTOR ANTAGONIST SANOFI-AVENTIS U.S. LLC (US) 2008-04-03 WO disclosed
EP-1891019-A2 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Aventis Pharmaceuticals Inc. (US) 2008-02-27 EP disclosed
US-20070265291-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 US disclosed
US-20070244131-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-10-18 US disclosed
WO-2006044732-A2 2, 6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2006-04-27 WO disclosed
US-20050118209-A1 Cosmetic or dermatological preparations for preventing damages to skin caused by peroxides BASF AKTIENGESELLSCHAFT (DE) 2005-06-02 US disclosed
US-20040235792-A1 Serine protease inhibitors compromising a hydrogen-bond acceptor TRIGEN LIMITED (GB) 2004-11-25 US disclosed
WO-2002057273-A9 SERINE PROTEASE INHIBITORS COMPRISING A HYDROGEN-BOND ACCEPTOR TRIGEN LTD (GB) 2002-11-28 WO disclosed
WO-2002057273-A1 SERINE PROTEASE INHIBITORS COMPRISING A HYDROGEN-BOND ACCEPTOR TRIGEN LIMITED (GB) 2002-07-25 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 (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-20220363709-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 LIPG 777/4885ENPP2 17/4885ALDH1A1 527/4885
US-20210317139-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD74, IL2, ICOS LIPG 1666/4885ENPP2 191/4885ALDH1A1 223/4885
US-11873309-B2 Heterocyclic compounds as immunomodulators CD74, IL2, ICOS LIPG 1666/4885ENPP2 191/4885ALDH1A1 223/4885
US-20040235792-A1 Serine protease inhibitors compromising a hydrogen-bond acceptor SERPINB1, SPINT2, CTRL LIPG 1799/4885ENPP2 1293/4885ALDH1A1 3567/4885
US-20050118209-A1 Cosmetic or dermatological preparations for preventing damages to skin caused by peroxides CAT, LPO, GPX4 LIPG 916/4885ENPP2 2806/4885ALDH1A1 184/4885
US-20070244131-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS CYSLTR2, PTGER2, CYSLTR1 LIPG 1765/4885ENPP2 90/4885ALDH1A1 639/4885
US-20070265291-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS CYSLTR2, PTGER2, CYSLTR1 LIPG 1765/4885ENPP2 90/4885ALDH1A1 639/4885

“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.