SCHEMBL909428

SCHEMBL909428

O=C(O)Cc1c(F)cccc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.54
P2RX7 Q99572 1/20 0.46
AKR1B1 P15121 1/20 0.44
STIM1 Q13586 1/20 0.44
ORAI1 Q96D31 1/20 0.44
FABP4 P15090 1/20 0.43
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RORC P51449 3/20 0.40
CYP3A4 P08684 1/20 0.39
CD38 P28907 1/20 0.39
KCNH2 Q12809 1/20 0.39
CXCL8 P10145 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL10206352 0.84 P2RX7 (0.45) PTGS2P2RX7STIM1ORAI1FABP4
SCHEMBL8772056 0.84 P2RX7 (0.45) PTGS2P2RX7STIM1ORAI1FABP4
SCHEMBL2033226 0.83 FFAR1 (0.46) PTGS2STIM1ORAI1FABP4SLC6A2
SCHEMBL503912 0.82 AKR1B1 (0.56) PTGS2AKR1B1KDM4ECXCL8MEN1
SCHEMBL29718685 0.81 AKR1B1 (0.67) PTGS2AKR1B1RXRARXRBRXRG
SCHEMBL11065664 0.81 AKR1B1 (0.67) PTGS2AKR1B1RXRARXRBRXRG
SCHEMBL15524368 0.81 AKR1B1 (0.43) PTGS2AKR1B1RXRARXRBRXRG
Hydrochloric Acid SCHEMBL1372001 0.81 AKR1B1 (0.54) PTGS2AKR1B1KDM4ECXCL8MEN1
SCHEMBL29009966 0.80 FFAR4 (0.44) PTGS2STIM1ORAI1FABP4CYP3A4
SCHEMBL8914214 0.80 SMN1; SMN2 (0.51) PTGS2P2RX7STIM1ORAI1SLC6A2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119431706-A Fatigue-resistant polyurethane elastomer and preparation method and application thereof 万勋科技(深圳)有限公司 2025-02-14 CN claimed
CN-119431706-A Fatigue-resistant polyurethane elastomer and preparation method and application thereof 万勋科技(深圳)有限公司 2025-02-14 CN disclosed
US-9453000-B2 Polycyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-09-27 US disclosed
EP-2181992-B1 POLYCYCLIC COMPOUND EISAI R&D MAN CO LTD (JP) 2013-05-01 EP disclosed
EP-2559693-A1 Polycyclic compound Eisai R&D Management Co., Ltd. (JP) 2013-02-20 EP disclosed
US-7935815-B2 Imidazoyl pyridine compounds and salts thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-03 US disclosed
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF KIMURA TEIJI 2011-03-17 US disclosed
US-20110009619-A1 POLYCYCLIC COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-13 US disclosed
EP-2181992-A1 POLYCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2010-05-05 EP disclosed
US-20090093464-A1 Naphthalene Derivatives as Modulators of the Glucocorticoid Receptor SMITHKLINE BEECHMA CORPORATION (US) 2009-04-09 US disclosed
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS EISAI R&D MANAGEMENT CO., LTD., (JP) 2009-03-05 US disclosed
US-7217722-B2 Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2007-05-15 US disclosed
US-20040102437-A1 Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same KYOWA HAKKO KIRIN CO., LTD. (JP) 2004-05-27 US disclosed
EP-1256574-A1 NITROGEN-CONTAINING COMPOUNDS HAVING KINASE INHIBITORY ACTIVITY AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-11-13 EP disclosed
US-5686492-A NMR DIAGNOSTIC AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1997-11-11 US 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 (5 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-20110009619-A1 POLYCYCLIC COMPOUND APP, BACE1, PSEN1 PTGS2 539/4885P2RX7 1890/4885AKR1B1 298/4885
US-20090093464-A1 Naphthalene Derivatives as Modulators of the Glucocorticoid Receptor NR3C1, NR3C2, NR5A1 PTGS2 194/4885P2RX7 1005/4885AKR1B1 144/4885
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF APP, PSEN1, BACE1 PTGS2 710/4885P2RX7 907/4885AKR1B1 380/4885
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS APP, BACE1, PSEN1 PTGS2 619/4885P2RX7 2059/4885AKR1B1 322/4885
US-20040102437-A1 Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same TNK2, ROCK1, ROCK2 PTGS2 505/4885P2RX7 1343/4885AKR1B1 2737/4885

“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.