SCHEMBL645087

SCHEMBL645087

COc1ccc(N(OCc2ccccc2)[C@@H](C)C(=O)OP(=O)(O)Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
RNF4 P78317 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ACHE P22303 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PLAU P00749 1/20 0.38
ELANE P08246 1/20 0.38
ACP3 P15309 1/20 0.38
ATM Q13315 1/20 0.38
FABP7 O15540 1/20 0.38
FABP5 Q01469 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL472178 0.91 ALDH1A1 (0.38) ALDH1A1TSHRLMNAELANEL3MBTL1
SCHEMBL20162506 0.91 ALDH1A1 (0.38) ALDH1A1TSHRLMNAELANEL3MBTL1
SCHEMBL20162498 0.89 POLB (0.42) RAB9ANPC1PPARGPPARAALDH1A1
SCHEMBL10003812 0.88 CTSS (0.39) RAB9ANPC1RNF4PPARGPPARA
SCHEMBL10004648 0.85 ALOX15 (0.39) RAB9ANPC1RNF4ALDH1A1TSHR
SCHEMBL20162507 0.84 PPARG (0.38) PPARGPPARAALDH1A1POLBELANE
SCHEMBL4635211 0.84 PPARG (0.38) PPARGPPARAALDH1A1POLBELANE
SCHEMBL10004534 0.83 NPC1 (0.36) RAB9ANPC1RNF4PPARGPPARA
SCHEMBL29371149 0.81 ALDH1A1 (0.40) ALDH1A1TSHRLMNAELANEL3MBTL1
SCHEMBL29794309 0.81 POLB (0.43) RAB9ANPC1PPARGPPARAALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119779-B2 Phosphoramidate derivatives UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED 2012-02-21 US disclosed
EP-1709056-B1 PHOSPHORAMIDATE DERIVATIVES UNIV CARDIFF (GB) 2009-06-17 EP disclosed
US-20070275910-A1 Phosphoramidate Derivatives UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2007-11-29 US disclosed
EP-1709056-A1 PHOSPHORAMIDATE DERIVATIVES University College Cardiff Consultants Limited (GB) 2006-10-11 EP disclosed
WO-2005070944-A1 PHOSPHORAMIDATE DERIVATIVES UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2005-08-04 WO 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-20070275910-A1 Phosphoramidate Derivatives HRH4, HRH3, NR1H4 RAB9A 4185/4885NPC1 3445/4885RNF4 2871/4885

“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.