SCHEMBL23603602

SCHEMBL23603602

C=CCO[C@@H]1OC(COCc2ccccc2)[C@H](OCc2ccccc2)C(OCc2ccc3ccccc3c2)C1OC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.51
SSTR4 P31391 3/20 0.44
PTPN1 P18031 9/20 0.44
CDC25B P30305 7/20 0.44
PTPN2 P17706 5/20 0.44
PTPN11 Q06124 5/20 0.44
PTPN6 P29350 4/20 0.44
GJA1 P17302 1/20 0.43
GJB2 P29033 1/20 0.43
SSTR5 P35346 1/20 0.40
TACR2 P21452 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
SCHEMBL23603323 0.93 SSTR4 (0.50) NT5ESSTR4GJA1GJB2SSTR5
SCHEMBL23603324 0.93 SSTR4 (0.50) NT5ESSTR4GJA1GJB2SSTR5
SCHEMBL23603480 0.93 NT5E (0.47) NT5ESSTR4PTPN1CDC25BPTPN2
SCHEMBL23603383 0.93 NT5E (0.47) NT5ESSTR4PTPN1CDC25BPTPN2
SCHEMBL23603977 0.93 NT5E (0.47) NT5ESSTR4PTPN1CDC25BPTPN2
SCHEMBL23603950 0.93 NT5E (0.47) NT5ESSTR4PTPN1CDC25BPTPN2
SCHEMBL23603385 0.93 NT5E (0.47) NT5ESSTR4PTPN1CDC25BPTPN2
SCHEMBL24696311 0.93 NT5E (0.47) NT5ESSTR4PTPN1CDC25BPTPN2
SCHEMBL23603952 0.93 NT5E (0.47) NT5ESSTR4PTPN1CDC25BPTPN2
SCHEMBL23603482 0.93 NT5E (0.47) NT5ESSTR4PTPN1CDC25BPTPN2

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
US-11479574-B2 Vaccine against Klebsiella pneumoniae IDORSIA PHARMACEUTICALS LTD (CH) 2022-10-25 US disclosed
US-20210198304-A1 VACCINE AGAINST KLEBSIELLA PNEUMONIAE IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-01 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 (2 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-11479574-B2 Vaccine against Klebsiella pneumoniae SLC11A2, OSTC, STT3A NT5E 3184/4885SSTR4 4041/4885PTPN1 2001/4885
US-20210198304-A1 VACCINE AGAINST KLEBSIELLA PNEUMONIAE SLC11A2, OSTC, STT3A NT5E 3184/4885SSTR4 4041/4885PTPN1 2001/4885

“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.