SCHEMBL14103196

SCHEMBL14103196

O=C(OCC1O[C@H](OCCC=CCCO[C@@H]2OC(COC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.52
USP2 O75604 2/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
F11 P03951 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
TMPRSS2 O15393 1/20 0.47
PDE5A O76074 1/20 0.47
HMGCR P04035 1/20 0.47
CYP1A2 P05177 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
HSPD1 P10809 1/20 0.47
CYP2C9 P11712 1/20 0.47
CA6 P23280 1/20 0.47
TBXAS1 P24557 1/20 0.47
MAPK3 P27361 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL14103195 0.94 PTPN1 (0.49) PTPN1USP2MEN1POLBKMT2A
SCHEMBL14103189 0.91 PTPN1 (0.50) PTPN1USP2MEN1POLBKMT2A
SCHEMBL8350379 0.89 PTPN1 (0.53) PTPN1USP2MEN1POLBKMT2A
SCHEMBL8350378 0.89 PTPN1 (0.53) PTPN1USP2MEN1POLBKMT2A
SCHEMBL35382 0.88 PTPN1 (0.52) PTPN1USP2MEN1POLBKMT2A
SCHEMBL9179303 0.88 PTPN1 (0.52) PTPN1USP2MEN1POLBKMT2A
SCHEMBL45898 0.88 PTPN1 (0.52) PTPN1USP2MEN1POLBKMT2A
SCHEMBL34887 0.88 PTPN1 (0.52) PTPN1USP2MEN1POLBKMT2A
SCHEMBL14878527 0.88 PTPN1 (0.47) PTPN1USP2MEN1POLBKMT2A
SCHEMBL12300663 0.88 PTPN1 (0.47) PTPN1USP2MEN1POLBKMT2A

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-20080171706-A1 Anti-Adhesive Compounds to Prevent and Treat Bacterial Infections VLAAMS INTERUNIVERSITAIR INSTITUUT VOOR BIOTECHNOLOGIE VZW (BE) 2008-07-17 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-20080171706-A1 Anti-Adhesive Compounds to Prevent and Treat Bacterial Infections EPCAM, ICAM1, CDH1 PTPN1 2438/4885USP2 2700/4885MEN1 2598/4885

“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.