SCHEMBL29954436

SCHEMBL29954436

COc1cc(C#N)ccc1B(O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.51
ENPP2 Q13822 3/20 0.47
CYP11B2 P19099 2/20 0.42
CYP11B1 P15538 1/20 0.42
SLC6A4 P31645 1/20 0.40
EGLN2 Q96KS0 1/20 0.39
TUBB4A P04350 4/20 0.38
TUBB P07437 4/20 0.38
TUBA3C P0DPH7 4/20 0.38
TUBA1B P68363 4/20 0.38
TUBA4A P68366 4/20 0.38
TUBB4B P68371 4/20 0.38
TUBB3 Q13509 4/20 0.38
TUBB2A Q13885 4/20 0.38
TUBB8 Q3ZCM7 4/20 0.38
TUBA3E Q6PEY2 4/20 0.38
TUBA1A Q71U36 4/20 0.38
TUBA1C Q9BQE3 4/20 0.38
TUBB6 Q9BUF5 4/20 0.38
TUBB2B Q9BVA1 4/20 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
SCHEMBL15010996 1.00 AR (0.51) ARENPP2CYP11B2CYP11B1SLC6A4
SCHEMBL1303073 0.85 AR (0.49) ARENPP2CYP11B2CYP11B1SLC6A4
SCHEMBL22717679 0.85 AR (0.46) ARENPP2CYP11B2CYP11B1SLC6A4
SCHEMBL31314173 0.81 ENPP2 (0.47) ARENPP2TUBB4ATUBBTUBA3C
SCHEMBL31019037 0.79 AR (0.53) ARENPP2CYP11B2CYP11B1SLC6A4
SCHEMBL29490258 0.78 AR (0.66) ARCYP11B2CYP11B1SLC6A4EGLN2
SCHEMBL509522 0.78 AR (0.66) ARCYP11B2CYP11B1SLC6A4EGLN2
SCHEMBL1614452 0.77 AR (0.40) ARENPP2EGLN2TUBB4ATUBB
SCHEMBL29804271 0.77 MAOB (0.55) AR
SCHEMBL459931 0.77 MAOB (0.55) AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4609865-A2 NLRP3 INHIBITORS F. Hoffmann-La Roche AG (CH) 2025-09-03 EP disclosed
US-20250214977-A1 STAT6 INHIBITORS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2025-07-03 US disclosed
EP-4337652-B1 NLRP3 INHIBITORS HOFFMANN LA ROCHE (CH) 2025-04-09 EP disclosed
CN-119060098-A Organic electroluminescent material and device 环球展览公司 2024-12-03 CN disclosed
EP-4433459-A1 PYRIDAZINE DERIVATIVES AS INHIBITORS OF NLRP3 F. Hoffmann-La Roche AG (CH) 2024-09-25 EP disclosed
CN-118525025-A Six-membered cyclothiazole compound and application thereof 南京再明医药有限公司 2024-08-20 CN disclosed
US-20240208928-A1 NOVEL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-06-27 US disclosed
WO-2024094150-A1 NLRP3 INFLAMMASOME INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2024-05-10 WO disclosed
WO-2023088987-A1 PYRIDAZINE DERIVATIVES AS INHIBITORS OF NLRP3 F. HOFFMANN-LA ROCHE AG (CH) 2023-05-25 WO disclosed
EP-4118136-A1 DYNAMIC COVALENT HYDROGELS, PRECURSORS THEREOF AND USES THEREOF Centre National de la Recherche Scientifique (CNRS) (FR) 2023-01-18 EP disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 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 (2 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-20240208928-A1 NOVEL COMPOUNDS RB1, RPS4X, RPS4Y1 AR 193/4885ENPP2 1445/4885CYP11B2 34/4885
US-20250214977-A1 STAT6 INHIBITORS AND USES THEREOF STAT6, STAT5B, STAT5A AR 1849/4885ENPP2 548/4885CYP11B2 3139/4885

“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.