SCHEMBL22419919

SCHEMBL22419919

CC(C)[C@@H]1OC(COCc2ccccc2)[C@@H](OCc2ccccc2)C(OCc2ccccc2)C1N=[N+]=[N-]

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.42
▸ PTPN1 P18031 7/20 0.42
▸ CDC25B P30305 7/20 0.42
▸ SSTR1 P30872 1/20 0.41
▸ SSTR2 P30874 1/20 0.41
▸ SSTR4 P31391 1/20 0.41
▸ SSTR3 P32745 1/20 0.41
▸ SSTR5 P35346 1/20 0.41
▸ TACR2 P21452 3/20 0.40
▸ NT5E P21589 1/20 0.40
▸ BCHE P06276 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ PTPN2 P17706 3/20 0.38
▸ PTPN6 P29350 2/20 0.38
▸ PTPN11 Q06124 2/20 0.38
▸ GJB2 P29033 1/20 0.38
▸ CDC25A P30304 1/20 0.37

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
SCHEMBL22419917 1.00 HTR1A (0.42) HTR1APTPN1CDC25BSSTR1SSTR2
SCHEMBL30063068 0.86 HTR1A (0.43) HTR1APTPN1CDC25BSSTR1SSTR2
SCHEMBL16588038 0.84 SSTR1 (0.53) HTR1APTPN1CDC25BSSTR1SSTR2
SCHEMBL20033560 0.84 SSTR1 (0.53) HTR1APTPN1CDC25BSSTR1SSTR2
SCHEMBL24256784 0.84 SSTR1 (0.53) HTR1APTPN1CDC25BSSTR1SSTR2
SCHEMBL23705049 0.84 SSTR1 (0.53) HTR1APTPN1CDC25BSSTR1SSTR2
SCHEMBL22419918 0.84 HTR1A (0.42) HTR1APTPN1CDC25BSSTR1SSTR2
SCHEMBL22419916 0.84 HTR1A (0.42) HTR1APTPN1CDC25BSSTR1SSTR2
SCHEMBL30277436 0.84 HTR1A (0.43) HTR1APTPN1CDC25BSSTR1SSTR2
SCHEMBL30063888 0.84 HTR1A (0.43) HTR1APTPN1CDC25BSSTR1SSTR2

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 HTR1A 4605/4885PTPN1 668/4885CDC25B 2437/4885

“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