SCHEMBL2779820

SCHEMBL2779820

C[C@@H]1O[C@@H](OC(=N)C(Cl)(Cl)Cl)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.38
MTOR P42345 1/20 0.38
NT5E P21589 1/20 0.38
SSTR1 P30872 1/20 0.36
SSTR2 P30874 1/20 0.36
SSTR4 P31391 1/20 0.36
SSTR3 P32745 1/20 0.36
SSTR5 P35346 1/20 0.36
BCHE P06276 1/20 0.35
PTPN1 P18031 7/20 0.34
CDC25B P30305 6/20 0.34
SLC6A2 P23975 1/20 0.32
PTPN2 P17706 3/20 0.32
PTPN6 P29350 2/20 0.31
PTPN11 Q06124 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL20854863 1.00 PDPK1 (0.38) PDPK1MTORNT5ESSTR1SSTR2
SCHEMBL22181021 1.00 PDPK1 (0.38) PDPK1MTORNT5ESSTR1SSTR2
SCHEMBL10031484 1.00 PDPK1 (0.38) PDPK1MTORNT5ESSTR1SSTR2
SCHEMBL8597607 1.00 PDPK1 (0.38) PDPK1MTORNT5ESSTR1SSTR2
SCHEMBL7554868 1.00 PDPK1 (0.38) PDPK1MTORNT5ESSTR1SSTR2
SCHEMBL20966475 0.95 FGF1 (0.36) PDPK1MTORNT5ESSTR1SSTR2
SCHEMBL26491395 0.92 NT5E (0.39) PDPK1MTORNT5ESSTR1SSTR2
SCHEMBL22423316 0.91 NT5E (0.37) PDPK1MTORNT5EPTPN1CDC25B
SCHEMBL1034819 0.91 NT5E (0.37) PDPK1MTORNT5EPTPN1CDC25B
SCHEMBL12757246 0.91 NT5E (0.37) PDPK1MTORNT5EPTPN1CDC25B

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-7858578-B2 tissue engineering using a carbohydrate fucose-galactose attached to polyacrylamide or polyoxyethylene glycol; inducing neuronal outgrowth CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2010-12-28 US disclosed
US-20060177413-A1 Carbohydrate modifiers of neuronal growth NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-08-10 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-20060177413-A1 Carbohydrate modifiers of neuronal growth FUCA1, GALC, FGF2 PDPK1 1371/4885MTOR 1570/4885NT5E 2919/4885

“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.