SCHEMBL3147435

SCHEMBL3147435

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.48
LMNA P02545 2/20 0.46
KMT2A Q03164 1/20 0.45
TSHR P16473 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP2D6 P10635 1/20 0.44
MAPK1 P28482 1/20 0.44
POLB P06746 1/20 0.44
PTPN1 P18031 6/20 0.43
CDC25B P30305 6/20 0.43
SSTR1 P30872 1/20 0.42
SSTR2 P30874 1/20 0.42
SSTR4 P31391 1/20 0.42
SSTR3 P32745 1/20 0.42
SSTR5 P35346 1/20 0.42
PTPN2 P17706 2/20 0.40
PTPN6 P29350 2/20 0.40
PTPN11 Q06124 2/20 0.40

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
SCHEMBL244073 1.00 NT5E (0.48) NT5ELMNAKMT2ATSHRALDH1A1
SCHEMBL13381004 1.00 NT5E (0.48) NT5ELMNAKMT2ATSHRALDH1A1
SCHEMBL12606126 1.00 NT5E (0.48) NT5ELMNAKMT2ATSHRALDH1A1
SCHEMBL5423704 1.00 NT5E (0.48) NT5ELMNAKMT2ATSHRALDH1A1
SCHEMBL17449261 0.92 LMNA (0.45) NT5ELMNAKMT2ATSHRALDH1A1
SCHEMBL24672154 0.88 NT5E (0.53) NT5EPTPN1CDC25BSSTR1SSTR2
SCHEMBL22315183 0.88 NT5E (0.55) NT5ECYP2D6PTPN1CDC25BSSTR1
SCHEMBL21537642 0.88 NT5E (0.53) NT5EPTPN1CDC25BSSTR1SSTR2
SCHEMBL2485383 0.88 NT5E (0.53) NT5EPTPN1CDC25BSSTR1SSTR2
SCHEMBL7170086 0.88 NT5E (0.53) NT5EPTPN1CDC25BSSTR1SSTR2

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-20100081708-A1 ANTICOAGULANT COMPOUNDS ENDOTIS PHARMA (FR) 2010-04-01 US disclosed
EP-0906324-B1 CARBOHYDRATE DERIVATIVES AND THEIR SOLID-PHASE SYNTHESIS BASF AG (DE) 2001-08-01 EP 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-20100081708-A1 ANTICOAGULANT COMPOUNDS SERPINC1, F2, FUT5 NT5E 395/4885LMNA 2211/4885KMT2A 4169/4885

“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.