SCHEMBL21222682

SCHEMBL21222682

COC(=O)[C@H]1C[C@H](OS(C)(=O)=O)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA7 P36544 1/20 0.46
MMP2 P08253 2/20 0.36
ANPEP P15144 2/20 0.36
BRD4 O60885 1/20 0.34
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL17293401 1.00 TP53 (0.46) TP53CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1498367 1.00 TP53 (0.46) TP53CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL19714840 0.87 TP53 (0.46) TP53CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6913321 0.87 TP53 (0.46) TP53CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1139874 0.87 TP53 (0.46) TP53CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL19714838 0.87 TP53 (0.46) TP53CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4088870 0.84 TP53 (0.46) TP53CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL765277 0.84 TP53 (0.46) TP53CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4088867 0.84 TP53 (0.46) TP53CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL10476737 0.84 TP53 (0.46) TP53CHRNB2CHRNA4CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250059220-A1 SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2025-02-20 US disclosed
US-20230348363-A1 COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-11-02 US disclosed
CN-115340484-A Benzyloxy indole branched-chain acid derivative and its preparation method and use 上海美迪西生物医药股份有限公司 2022-11-15 CN disclosed
US-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-07-06 US disclosed
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-08-08 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 (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-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors HPGDS, PTGDR, PTGER1 TP53 4495/4885CHRNB2 1415/4885CHRNA4 2408/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 TP53 4495/4885CHRNB2 1415/4885CHRNA4 2408/4885
US-20230348363-A1 COMPOUNDS AND THEIR USE RXFP1, RXFP3, RXFP2 TP53 4491/4885CHRNB2 2646/4885CHRNA4 3554/4885
US-20250059220-A1 SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AND METHODS OF USE THEREOF SULT1E1, TPMT, SULT1A1 TP53 43/4885CHRNB2 4839/4885CHRNA4 4815/4885

“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.