Sugi Predict

Sugi Predict / Compounds / SCHEMBL4771663

SCHEMBL4771663

SCHEMBL4771663

COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.45
▸ TDP1 Q9NUW8 3/20 0.45
▸ TUBB4A P04350 2/20 0.44
▸ TUBB P07437 2/20 0.44
▸ TUBA3C P0DPH7 2/20 0.44
▸ TUBA1B P68363 2/20 0.44
▸ TUBA4A P68366 2/20 0.44
▸ TUBB4B P68371 2/20 0.44
▸ TUBB3 Q13509 2/20 0.44
▸ TUBB2A Q13885 2/20 0.44
▸ TUBB8 Q3ZCM7 2/20 0.44
▸ TUBA3E Q6PEY2 2/20 0.44
▸ TUBA1A Q71U36 2/20 0.44
▸ TUBA1C Q9BQE3 2/20 0.44
▸ TUBB6 Q9BUF5 2/20 0.44
▸ TUBB2B Q9BVA1 2/20 0.44
▸ TUBB1 Q9H4B7 2/20 0.44
▸ CSF1R P07333 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TTR P02766 2/20 0.42

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
SCHEMBL29845809 1.00 ALDH1A1 (0.45) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL3033971 0.89 ALDH1A1 (0.45) ALDH1A1TDP1CSF1RTTRCYP3A4
SCHEMBL1128710 0.83 MEN1 (0.47) ALDH1A1TDP1SMN1; SMN2TTRPOLB
SCHEMBL31325748 0.82 TUBB4A (0.39) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL29225970 0.81 CYP19A1 (0.41) ALDH1A1SMN1; SMN2POLBCYP3A4TSHR
SCHEMBL4550135 0.81 ALDH1A1 (0.47) ALDH1A1TDP1SMN1; SMN2CYP3A4TSHR
SCHEMBL190588 0.81 TDP1 (0.54) ALDH1A1TDP1POLBCYP3A4TSHR
SCHEMBL27037558 0.80 POLB (0.48) ALDH1A1SMN1; SMN2POLBMAPTLMNA
SCHEMBL23926487 0.79 VCAM1 (0.47) ALDH1A1TDP1MAPTLMNA
SCHEMBL14158127 0.79 ALDH1A1 (0.56) ALDH1A1TDP1SMN1; SMN2TTRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4743457-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 FOR THERAPEUTIC USE 4M THERAPEUTICS INC. (US) 2026-05-20 — — EP disclosed
US-20250263399-A1 CBL-B MODULATORS AND USES THEREOF SCHRÖDINGER, INC. 2025-08-21 — — US disclosed
US-12325697-B2 CBL-B modulators and uses thereof NIMBUS CLIO, INC. (US) 2025-06-10 — — US disclosed
WO-2025015045-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 FOR THERAPEUTIC USE 4M THERAPEUTICS INC. (US) 2025-01-16 — — WO disclosed
CN-117858707-A CBL-B modulators and uses thereof 林伯士克莱奥公司 2024-04-09 — — CN disclosed
CN-117659025-A TOLL-like receptor 8 (TLR 8) specific antagonists, methods of making and uses thereof 科罗拉多州立大学董事会法人团体 2024-03-08 — — CN disclosed
CN-117586108-A TOLL-like receptor 8 (TLR 8) specific antagonists, methods of making and uses thereof 科罗拉多州立大学董事会法人团体 2024-02-23 — — CN disclosed
CN-117586191-A TOLL-like receptor 8 (TLR 8) specific antagonists, methods of making and uses thereof 科罗拉多州立大学董事会法人团体 2024-02-23 — — CN disclosed
EP-4319756-A1 CBL-B MODULATORS AND USES THEREOF Nimbus Clio, Inc. (US) 2024-02-14 — — EP disclosed
CN-111542515-B TOLL-like receptor 8 (TLR 8) specific antagonists, methods of making and uses thereof 科罗拉多州立大学董事会法人团体 2023-12-05 — — CN disclosed
EP-1456202-B1 BENZOTHIAZOLES HOFFMANN LA ROCHE (CH) 2005-11-09 — — EP disclosed
WO-2005000842-A1 BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMAN-LA ROCHE AG (CH) 2005-01-06 — — WO disclosed
US-20040235915-A1 Benzothiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 — — US disclosed
US-20040235915-A1 Benzothiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 — — US disclosed
WO-2004101558-A1 2-IMIDAZO-BENZOTHIAZOLES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 — — WO disclosed
US-20040229862-A1 Imidazo-benzothiazoles F. HOFFMAN-LA ROCHE AG (CH) 2004-11-18 — — US disclosed
EP-1456202-A1 BENZOTHIAZOLES F. Hoffman-la Roche AG (CH) 2004-09-15 — — EP disclosed
US-6734179-B2 SULFUR COMPOUNDS SUCH AS 4-FLUORO-N-(4-METHOXY-7-(TETRAHYDRO-PYRAN-4-YL)-BENZOTHIAZOL-2-YL) -BENZAMIDE, USED AS PREFERENTIAL ADENOSINE RECEPTOR LIGANDS FOR THE PROPHYLAXIS OF NEURODEGENERATIVE DISORDERS HOFFMANN-LA ROCHE INC. 2004-05-11 — — US disclosed
US-20030144288-A1 Benzothiazoles F. HOFFMAN-LA ROCHE AG A SWISS COMPANY (CH) 2003-07-31 — — US disclosed
WO-2003053961-A1 BENZOTHIAZOLES F. HOFFMAN-LA ROCHE AG (CH) 2003-07-03 — — 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 (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-20040235915-A1 Benzothiazole derivatives ADORA1, ADORA2A, ADORA3 ALDH1A1 114/4885TDP1 405/4885TUBB4A 2629/4885
US-20250263399-A1 CBL-B MODULATORS AND USES THEREOF CBLB, CBL, CBLC ALDH1A1 4641/4885TDP1 2613/4885TUBB4A 2236/4885
US-20030144288-A1 Benzothiazoles ADORA2A, ADORA1, ADORA2B ALDH1A1 89/4885TDP1 1365/4885TUBB4A 2069/4885
US-12325697-B2 CBL-B modulators and uses thereof CBLB, CBL, CBLC ALDH1A1 4641/4885TDP1 2613/4885TUBB4A 2236/4885
US-20040229862-A1 Imidazo-benzothiazoles ADORA1, ADORA3, ADORA2A ALDH1A1 411/4885TDP1 2566/4885TUBB4A 3447/4885

“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.