SCHEMBL22419923

SCHEMBL22419923

CC(C)(C)C1OC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1N

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GJB2 P29033 2/20 0.48
▸ SSTR1 P30872 1/20 0.47
▸ SSTR2 P30874 1/20 0.47
▸ SSTR4 P31391 1/20 0.47
▸ SSTR3 P32745 1/20 0.47
▸ SSTR5 P35346 1/20 0.47
▸ HTR1A P08908 1/20 0.47
▸ NT5E P21589 1/20 0.46
▸ TACR2 P21452 3/20 0.44
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ PTPN1 P18031 5/20 0.41
▸ CDC25B P30305 5/20 0.41
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ PTPN2 P17706 1/20 0.40
▸ PTPN6 P29350 1/20 0.40
▸ PTPN11 Q06124 1/20 0.40

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
SCHEMBL264635 0.89 HTR1A (0.50) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL24378581 0.84 GJB2 (0.50) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL6805981 0.83 GJB2 (0.53) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL5555711 0.83 GJB2 (0.53) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL15514243 0.83 GJB2 (0.53) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL15541898 0.83 GJB2 (0.53) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL23705151 0.82 SSTR1 (0.61) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL24256782 0.82 SSTR1 (0.61) GJB2SSTR1SSTR2SSTR4SSTR3
SCHEMBL23705276 0.82 SSTR1 (0.61) GJB2SSTR1SSTR2SSTR4SSTR3
Hydrochloric Acid SCHEMBL29410631 0.82 GJB2 (0.53) GJB2SSTR1SSTR2SSTR4SSTR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10772946-B2 Immunogenic compositions against S. aureus SANOFI PASTEUR (FR) 2020-09-15 — — 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-10772946-B2 Immunogenic compositions against S. aureus CD4, CSGALNACT1, B3GNT2 GJB2 1720/4885SSTR1 4001/4885SSTR2 4489/4885

“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.

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