SCHEMBL20870252

SCHEMBL20870252

C[C@@H](O)[C@@H](O)[C@H](CO[C@H]1OC(CF)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)C1OCc1ccccc1)NC(=O)CCCCCCCCCCc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SELP P16109 7/20 0.44
▸ TACR1 P25103 2/20 0.39
▸ ENPP2 Q13822 1/20 0.36
▸ PTPN1 P18031 2/20 0.36
▸ CDC25B P30305 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MCHR1 Q99705 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ LTA4H P09960 1/20 0.33
▸ EPHX2 P34913 1/20 0.33

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
SCHEMBL19441639 1.00 SELP (0.44) SELPTACR1ENPP2PTPN1CDC25B
SCHEMBL19441658 0.89 SELP (0.44) SELPTACR1PTPN1CDC25B
SCHEMBL20870551 0.89 SELP (0.44) SELPTACR1PTPN1CDC25B
SCHEMBL20870247 0.85 SELP (0.40) SELP
SCHEMBL19441640 0.85 SELP (0.40) SELP
SCHEMBL20019622 0.83 SELP (0.47) SELPPTPN1CDC25BALDH1A1KMT2A
SCHEMBL19441634 0.83 SELP (0.39) SELPENPP2KMT2A
SCHEMBL16561945 0.83 SELP (0.39) SELPENPP2KMT2A
SCHEMBL20870255 0.82 SELP (0.39) SELPTACR1MCHR1LTA4HEPHX2
SCHEMBL19441638 0.82 SELP (0.39) SELPTACR1MCHR1LTA4HEPHX2

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-20190099486-A1 HUMAN iNKT CELL ACTIVATION USING GLYCOLIPIDS WITH ALTERED GLYCOSYL GROUPS ACADEMIA SINICA (TW) 2019-04-04 — — 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-20190099486-A1 HUMAN iNKT CELL ACTIVATION USING GLYCOLIPIDS WITH ALTERED GLYCOSYL GROUPS UGCG, GALK1, B3GAT3 SELP 722/4885TACR1 3482/4885ENPP2 348/4885

“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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