SCHEMBL30007746

SCHEMBL30007746

COc1ccccc1[P@@](CC[P@@](c1ccccc1)c1ccccc1OC)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
CA12 O43570 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA4 P22748 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
ADRA2B P18089 1/20 0.38
PTGS1 P23219 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTT P42858 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36
IDO1 P14902 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL29367537 1.00 CA1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL29396701 1.00 CA1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL30517362 1.00 CA1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL29359151 1.00 CA1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL31593 1.00 CA1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL1231880 1.00 CA1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL10290527 1.00 CA1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL29930052 1.00 CA1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL903333 1.00 CA1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL42030 1.00 CA1 (0.44) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260138946-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF UPADACITINIB CURIA SPAIN S A U (ES) 2026-05-21 US disclosed
US-12552746-B2 Process and intermediates for the preparation of upadacitinib CURIA SPAIN, S.A.U. (ES) 2026-02-17 US disclosed
CN-115151529-B Processes and intermediates for preparing Wu Pati n 库里亚西班牙公司 2025-04-22 CN disclosed
US-12084456-B2 Isocarbostyril alkaloids and functionalization thereof THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2024-09-10 US disclosed
US-20230139156-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF UPADACITINIB CURIA SPAIN, S.A.U. (ES) 2023-05-04 US disclosed
EP-4077276-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF UPADACITINIB Curia Spain S.A.U. (ES) 2022-10-26 EP 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 (4 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-20260138946-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF UPADACITINIB JAK1, JAK3, JAK2 CA1 3030/4885CA2 2621/4885CA7 2115/4885
US-20230139156-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF UPADACITINIB CDK19, CDK11B, CDK9 CA1 4046/4885CA2 4106/4885CA7 2630/4885
US-12084456-B2 Isocarbostyril alkaloids and functionalization thereof NISCH, CIAPIN1, CA7 CA1 625/4885CA2 1515/4885CA7 3/4885
US-12552746-B2 Process and intermediates for the preparation of upadacitinib JAK1, JAK3, MET CA1 2705/4885CA2 2570/4885CA7 2083/4885

“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.