SCHEMBL30605860

SCHEMBL30605860

CC(C)(C)OC(=O)N(C(=O)OCc1ccccc1)[C@@H](CCCCN)C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPOR P19235 2/20 0.42
▸ HTR2A P28223 1/20 0.41
▸ TPSAB1 Q15661 2/20 0.40
▸ TPSD1 Q9BZJ3 2/20 0.40
▸ TPSG1 Q9NRR2 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ITGA4 P13612 1/20 0.39
▸ ITGB7 P26010 1/20 0.39
▸ MC4R P32245 1/20 0.38
▸ SSTR3 P32745 1/20 0.38
▸ RAB9A P51151 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ GAA P10253 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
SCHEMBL4357291 0.93 EPOR (0.46) EPORHTR2AALDH1A1SMN1; SMN2MC4R
SCHEMBL7959193 0.91 GAA (0.43) HTR2AALDH1A1SMN1; SMN2GAA
SCHEMBL4391556 0.91 GAA (0.43) HTR2AALDH1A1SMN1; SMN2GAA
SCHEMBL9692289 0.86 HTR2A (0.37) EPORHTR2ATPSAB1TPSD1TPSG1
SCHEMBL7785339 0.84 TPSAB1 (0.47) EPORTPSAB1TPSD1TPSG1
SCHEMBL10432184 0.82 MC4R (0.47) EPORITGA4ITGB7MC4RSSTR3
SCHEMBL5692891 0.82 EPOR (0.55) EPORTPSAB1TPSD1TPSG1
SCHEMBL3820596 0.82 TPSAB1 (0.53) EPORTPSAB1TPSD1TPSG1
SCHEMBL4150947 0.82 TPSAB1 (0.53) EPORTPSAB1TPSD1TPSG1
SCHEMBL375887 0.82 TPSAB1 (0.53) EPORTPSAB1TPSD1TPSG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113195641-B Sulfoxonium ylide derivatives as probes for cysteine proteases 武田药品工业株式会社 2024-09-03 — — CN disclosed
US-20230285598-A1 SULFOXONIUM YLIDE DERIVATIVES AS PROBES FOR CYSTEINE PROTEASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-09-14 — — 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 (1 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-20230285598-A1 SULFOXONIUM YLIDE DERIVATIVES AS PROBES FOR CYSTEINE PROTEASE CTSZ, CTSF, CTSL EPOR 4381/4885HTR2A 4358/4885TPSAB1 81/4885

“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.

Send feedback