SCHEMBL26658233

SCHEMBL26658233

NC(=O)c1nsc([C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2OCc2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TACR2 P21452 3/20 0.44
▸ NT5E P21589 1/20 0.43
▸ PTPN1 P18031 8/20 0.42
▸ CDC25B P30305 7/20 0.42
▸ PTPN2 P17706 5/20 0.42
▸ PTPN11 Q06124 5/20 0.42
▸ PTPN6 P29350 4/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ BCHE P06276 1/20 0.42
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ SSTR1 P30872 1/20 0.38
▸ SSTR2 P30874 1/20 0.38
▸ SSTR4 P31391 1/20 0.38
▸ SSTR3 P32745 1/20 0.38
▸ SSTR5 P35346 1/20 0.38
▸ PDE2A O00408 1/20 0.38

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
SCHEMBL22288945 0.86 TACR2 (0.56) TACR2NT5EPTPN1CDC25BPTPN2
SCHEMBL22288955 0.75 PTPN1 (0.45) TACR2NT5EPTPN1CDC25BPTPN2
SCHEMBL22288928 0.75 TACR2 (0.56) TACR2NT5EPTPN1CDC25BPTPN2
SCHEMBL20473791 0.74 NT5E (0.52) TACR2NT5EPTPN1CDC25BPTPN2
SCHEMBL18482843 0.74 NT5E (0.52) TACR2NT5EPTPN1CDC25BPTPN2
SCHEMBL10743096 0.74 TACR2 (0.45) TACR2NT5EPTPN1CDC25BPTPN2
SCHEMBL24146815 0.74 NT5E (0.48) TACR2NT5EPTPN1CDC25BPTPN2
SCHEMBL24146786 0.74 NT5E (0.48) TACR2NT5EPTPN1CDC25BPTPN2
SCHEMBL26658237 0.73 TACR2 (0.44) TACR2NT5EPTPN1CDC25BPTPN2
SCHEMBL11654958 0.73 HTR1A (0.52) NT5EPTPN1CDC25BPTPN2PTPN11

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-20230365608-A1 ANTIVIRAL NUCLEOSIDES AND DERIVATIVES THEREOF JANSSEN BIOPHARMA, LLC 2023-11-16 — — 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-20230365608-A1 ANTIVIRAL NUCLEOSIDES AND DERIVATIVES THEREOF PNP, NUDT1, ADAR TACR2 4856/4885NT5E 34/4885PTPN1 1323/4885

“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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