SCHEMBL4048673

SCHEMBL4048673

COc1cc(OC(F)(F)F)ccc1B(O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.44
RUNX1 Q01196 2/20 0.40
GPR3 P46089 2/20 0.40
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40
TUBA4A P68366 2/20 0.40
TUBB4B P68371 2/20 0.40
TUBB3 Q13509 2/20 0.40
TUBB2A Q13885 2/20 0.40
TUBB8 Q3ZCM7 2/20 0.40
TUBA3E Q6PEY2 2/20 0.40
TUBA1A Q71U36 2/20 0.40
TUBA1C Q9BQE3 2/20 0.40
TUBB6 Q9BUF5 2/20 0.40
TUBB2B Q9BVA1 2/20 0.40
TUBB1 Q9H4B7 2/20 0.40
HCRTR1 O43613 1/20 0.39
CA1 P00915 2/20 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
SCHEMBL29956187 1.00 ENPP2 (0.44) ENPP2RUNX1GPR3TUBB4ATUBB
SCHEMBL3139123 0.89 GPR3 (0.42) GPR3NPC1RAB9A
SCHEMBL31522728 0.89 GPR3 (0.37) ENPP2RUNX1GPR3HCRTR1CRHR1
SCHEMBL29953466 0.86 CA1 (0.42) ENPP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29956393 0.86 TUBB4A (0.46) ENPP2RUNX1GPR3TUBB4ATUBB
SCHEMBL17157371 0.86 CA1 (0.42) ENPP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL320667 0.86 TUBB4A (0.46) ENPP2RUNX1GPR3TUBB4ATUBB
SCHEMBL22208481 0.82 L3MBTL1 (0.44) GPR3HCRTR1
SCHEMBL31697241 0.82 L3MBTL1 (0.44) GPR3HCRTR1
SCHEMBL30916838 0.81 CA12 (0.46) RUNX1GPR3CA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260022100-A1 NAV1.8 INHIBITOR Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2026-01-22 US disclosed
US-20250333383-A1 N-OXIDE COMPOUNDS AND USE THEREOF SK BIOPHARMACEUTICALS CO., LTD. (KR) 2025-10-30 US disclosed
EP-4609865-A2 NLRP3 INHIBITORS F. Hoffmann-La Roche AG (CH) 2025-09-03 EP disclosed
US-20250163068-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2025-05-22 US disclosed
EP-4545517-A1 NAV1.8 INHIBITOR Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2025-04-30 EP disclosed
EP-4337652-B1 NLRP3 INHIBITORS HOFFMANN LA ROCHE (CH) 2025-04-09 EP disclosed
EP-4514777-A1 N-OXIDE COMPOUNDS AND USE THEREOF SK Biopharmaceuticals Co., Ltd. (KR) 2025-03-05 EP disclosed
US-20250034101-A1 COMPOUND HAVING OXADIAZOLE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SK BIOPHARMACEUTICALS CO., LTD. (KR) 2025-01-30 US disclosed
US-20240409553-A1 HETEROCYCLIC NLRP3 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2024-12-12 US disclosed
US-12145914-B2 Compound having oxadiazole and pharmaceutical composition containing the same SK BIOPHARMACEUTICALS CO., LTD. (KR) 2024-11-19 US disclosed
EP-1399428-A1 2,5-DIARYLPYRAZINES, 2,5-DIARYLPYRIDINES AND 2,5-DIARYLPYRIMIDINES AS CRF1 RECEPTOR MODULATORS Neurogen Corporation (US) 2004-03-24 EP disclosed
WO-2004018437-A1 5-SUBSTITUTED-2-ARYLPYRAZINES AS MODULATORS OF CRF RECEPTORS NEUROGEN CORPORATION (US) 2004-03-04 WO disclosed
EP-1392302-A1 5-SUBSTITUTED-2-ARYLPYRIDINES AS CRF1 MODULATORS NEUROGEN CORPORATION (US) 2004-03-03 EP disclosed
US-20030152520-A1 5-Substituted-2-arylpyridines NEUROGEN CORPORATION 2003-08-14 US disclosed
US-20030119844-A1 2,5-diarylpyrazines, 2,5-diarylpyridines and 2,5-diarylpyrimidines NEUROGEN CORPORATION 2003-06-26 US disclosed
US-20030018035-A1 Substituted arylpyrazines NEUROGEN CORPORATION 2003-01-23 US disclosed
WO-2002100838-A1 2,5-DIARYLPYRAZINES, 2,5-DIARYLPYRIDINES AND 2,5-DIARYLPYRIMIDINES AS CRF1 RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2002-12-19 WO disclosed
WO-2002096421-A1 5-SUBSTITUTED-2-ARYLPYRIDINES AS CRF1 MODULATORS NEUROGEN CORPORATION (US) 2002-12-05 WO disclosed
EP-1255740-A2 SUBSTITUTED ARYLPYRAZINES NEUROGEN CORPORATION (US) 2002-11-13 EP disclosed
WO-2001060806-A2 SUBSTITUTED ARYLPYRAZINES NEUROGEN CORPORATION (US) 2001-08-23 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-20030119844-A1 2,5-diarylpyrazines, 2,5-diarylpyridines and 2,5-diarylpyrimidines CRHR2, CRHR1, CRH ENPP2 630/4885RUNX1 1461/4885GPR3 123/4885
US-20250333383-A1 N-OXIDE COMPOUNDS AND USE THEREOF SCNN1B, SCN1B, SCN2B ENPP2 1629/4885RUNX1 2842/4885GPR3 1597/4885
US-20250034101-A1 COMPOUND HAVING OXADIAZOLE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME OTC, OXA1L, ATP6V1B2 ENPP2 2771/4885RUNX1 3686/4885GPR3 796/4885
US-20260022100-A1 NAV1.8 INHIBITOR SCN8A, SCN1B, SCN1A ENPP2 3807/4885RUNX1 1521/4885GPR3 500/4885
US-20030152520-A1 5-Substituted-2-arylpyridines HTR5A, CRHR2, HTR2C ENPP2 2049/4885RUNX1 1770/4885GPR3 116/4885
US-20250163068-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B ENPP2 384/4885RUNX1 2437/4885GPR3 1830/4885
US-20240409553-A1 HETEROCYCLIC NLRP3 INHIBITORS NLRP3, NLRP1, NOD1 ENPP2 2682/4885RUNX1 3291/4885GPR3 731/4885
US-12145914-B2 Compound having oxadiazole and pharmaceutical composition containing the same OTC, OXA1L, ATP6V1B2 ENPP2 2771/4885RUNX1 3686/4885GPR3 796/4885
US-20030018035-A1 Substituted arylpyrazines CRHR1, CRHR2, CRH ENPP2 483/4885RUNX1 1026/4885GPR3 69/4885

“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.