SCHEMBL304987

SCHEMBL304987

CC(C)(O)C(C)(C)OB(O)c1cccc(Cl)n1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL477882 0.82 ADRB1 (0.36)
SCHEMBL1182091 0.81 NOS3 (0.35)
SCHEMBL152217 0.81
SCHEMBL2490012 0.80 BTK (0.31)
SCHEMBL3044575 0.78 CDK2 (0.32)
SCHEMBL3559087 0.78 SOS2 (0.33)
SCHEMBL478257 0.74 SMN1; SMN2 (0.36) ALDH1A1
SCHEMBL4258665 0.73 CD38 (0.38) CYP3A4TSHRALDH1A1
SCHEMBL3764758 0.72
SCHEMBL14994712 0.72 L3MBTL1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4747260-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2026-05-27 EP disclosed
EP-4746963-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2026-05-27 EP disclosed
WO-2025068354-A1 SMARCA2 INHIBITORS USEFUL FOR THE TREATMENT OF SMARCA4 DEFICIENT CANCERS JANSSEN PHARMACEUTICA NV (BE) 2025-04-03 WO disclosed
WO-2025068132-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2025-04-03 WO disclosed
WO-2025021666-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2025-01-30 WO disclosed
WO-2025017045-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2025-01-23 WO disclosed
EP-4472739-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2024-12-11 EP disclosed
WO-2023148129-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2023-08-10 WO disclosed
US-20230159560-A1 METHODS OF USING HETEROCYCLIC COMPOUNDS AS DELTA-5 DESATURASE INHIBITORS APTUIT (VERONA) SRL, AN EVOTEC COMPANY (IT) 2023-05-25 US disclosed
US-11352330-B2 Phenoxymethyl derivatives HOFFMANN-LA ROCHE INC. (US) 2022-06-07 US disclosed
US-20100249084-A1 SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2010-09-30 US disclosed
US-20100069361-A1 Fused Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-03-18 US disclosed
EP-2132197-A2 SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS Almirall, S.A. (ES) 2009-12-16 EP disclosed
US-7625895-B2 Diphenyl-dihydro-imidazopyridinones Hoffmann-Le Roche Inc. (US) 2009-12-01 US disclosed
EP-2076512-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-07-08 EP disclosed
EP-2029570-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-04 EP disclosed
US-20080255119-A1 DIPHENYL-DIHYDRO-IMIDAZOPYRIDINONES DOMINIQUE ROMYR 2008-10-16 US disclosed
WO-2008116185-A2 SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2008-09-25 WO disclosed
WO-2008044022-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2008-04-17 WO disclosed
WO-2007141504-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2007-12-13 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-20100249084-A1 SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA3, ADORA1, ADORA2A CYP3A4 965/4885TSHR 457/4885ALDH1A1 381/4885
US-20100069361-A1 Fused Thiazole Derivatives as Kinase Inhibitors JAK1, MTOR, MOK CYP3A4 1715/4885TSHR 1930/4885ALDH1A1 1714/4885
US-20230159560-A1 METHODS OF USING HETEROCYCLIC COMPOUNDS AS DELTA-5 DESATURASE INHIBITORS SCD5, SCD, FADS2 CYP3A4 201/4885TSHR 2299/4885ALDH1A1 398/4885
US-11352330-B2 Phenoxymethyl derivatives CNKSR1, RB1, RCOR1 CYP3A4 500/4885TSHR 1723/4885ALDH1A1 131/4885
US-20080255119-A1 DIPHENYL-DIHYDRO-IMIDAZOPYRIDINONES TP53, MDM2, TP53BP1 CYP3A4 3296/4885TSHR 1836/4885ALDH1A1 3275/4885

“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.