SCHEMBL19682235

SCHEMBL19682235

CCCCOC[C@H]1O[C@@H](OC)[C@@H](OC(=O)c2ccccc2)C1OC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 12/20 0.51
PTPN2 P17706 2/20 0.50
PTPN6 P29350 2/20 0.50
PTPN11 Q06124 2/20 0.50
SSTR1 P30872 1/20 0.46
SSTR2 P30874 1/20 0.46
SSTR4 P31391 1/20 0.46
SSTR3 P32745 1/20 0.46
SSTR5 P35346 1/20 0.46
LGALS3 P17931 2/20 0.41
LGALS4 P56470 1/20 0.41
NT5E P21589 1/20 0.40
LGALS9 O00182 1/20 0.39
LGALS1 P09382 1/20 0.39
LGALS7; LGALS7B P47929 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL14440518 0.95 SSTR1 (0.51) PTPN1PTPN2PTPN6PTPN11SSTR1
SCHEMBL19276735 0.91 SSTR1 (0.48) PTPN1PTPN2PTPN6PTPN11SSTR1
SCHEMBL19276742 0.91 SSTR1 (0.48) PTPN1PTPN2PTPN6PTPN11SSTR1
SCHEMBL17087680 0.91 SSTR1 (0.45) PTPN1PTPN2PTPN6PTPN11SSTR1
SCHEMBL17471464 0.90 PTPN1 (0.44) PTPN1PTPN2PTPN6PTPN11SSTR1
SCHEMBL12468845 0.90 PTPN1 (0.44) PTPN1PTPN2PTPN6PTPN11SSTR1
SCHEMBL13415641 0.90 PTPN1 (0.44) PTPN1PTPN2PTPN6PTPN11SSTR1
SCHEMBL11985212 0.88 PTPN1 (0.48) PTPN1PTPN2PTPN6PTPN11MEN1
SCHEMBL15870687 0.87 PTPN1 (0.44) PTPN1PTPN2PTPN6PTPN11SSTR1
SCHEMBL8573455 0.86 PTPN1 (0.47) PTPN1PTPN2PTPN6PTPN11SSTR1

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-20170348414-A1 NOVEL SYNTHETIC ANTICANCER, ANTIFUNGAL, AND ANTIBACTERIAL VACCINES WAYNE STATE UNIVERSITY (US) 2017-12-07 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-20170348414-A1 NOVEL SYNTHETIC ANTICANCER, ANTIFUNGAL, AND ANTIBACTERIAL VACCINES ERG28, DDOST, STT3A PTPN1 1915/4885PTPN2 1924/4885PTPN6 1800/4885

“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.