SCHEMBL1809439

SCHEMBL1809439

CCC(c1ccccc1)C(C)(N)C(=O)O.O=P(O)(O)Cl

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
OPRD1 P41143 1/20 0.37
GRM2 Q14416 2/20 0.37
GRM3 Q14832 2/20 0.37
CYP2C19 P33261 1/20 0.36
CYP2C9 P11712 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.36
SRC P12931 1/20 0.36
AOC3 Q16853 1/20 0.36
POLB P06746 1/20 0.36
ACP3 P15309 1/20 0.36
ANPEP P15144 1/20 0.35

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
SCHEMBL5425825 0.91 LMNA (0.42) OPRD1GRM2GRM3CYP2C19CYP2C9
SCHEMBL1811461 0.89 CYP1A2 (0.39) CYP2C19CYP2C9HSD17B10LMNA
SCHEMBL1810262 0.86 ACP3 (0.45) ACP3ANPEP
SCHEMBL1809384 0.83 GRM8 (0.43) ALDH1A1
SCHEMBL28542544 0.82 PTGS2 (0.45) CYP2C19CYP2C9HSD17B10LMNA
SCHEMBL1811752 0.80 CYP1A2 (0.41) ALDH1A1CYP2C19SRCACP3ANPEP
Propionic Acid SCHEMBL8368277 0.80 SRC (0.38) ALDH1A1OPRD1SRCACP3ANPEP
SCHEMBL1806980 0.79 PPARG (0.45) ACP3ANPEP
SCHEMBL28535986 0.78 CYP2C9 (0.52) ALDH1A1CYP2C19CYP2C9HSD17B10LMNA
SCHEMBL1809667 0.76 PPARG (0.48) POLBACP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3904365-A1 CHEMICAL COMPOUNDS NuCana plc (GB) 2021-11-03 EP disclosed
US-RE47589-E1 Phosphoramidate compounds and methods of use NuCana plc (GB) 2019-09-03 US disclosed
EP-3486251-A1 CHEMICAL COMPOUNDS NuCana plc (GB) 2019-05-22 EP disclosed
EP-3040340-B1 CHEMICAL COMPOUNDS NuCana plc (GB) 2018-11-14 EP disclosed
EP-2955190-B1 Chemical compounds NuCana plc (GB) 2018-03-28 EP disclosed
EP-1646639-B1 NUCLEOTIDE PHOSPHORAMIDATES AS ANTICANCER AGENTS NUCANA BIOMED LTD (GB) 2016-08-17 EP disclosed
EP-3040340-A1 CHEMICAL COMPOUNDS NuCana BioMed Limited (GB) 2016-07-06 EP disclosed
EP-2955190-A2 Chemical compounds NuCana BioMed Limited (GB) 2015-12-16 EP disclosed
US-7951787-B2 Phosphoramidate compounds and methods of use CARDIFF PROTIDES LIMITED (GB) 2011-05-31 US disclosed
US-20060142238-A1 Chemical compounds NuCana plc (GB) 2006-06-29 US disclosed
EP-1646639-A2 NUCLEOTIDE PHOSPHORAMIDATES AS ANTICANCER AGENTS University College Cardiff Consultants, Ltd. (GB) 2006-04-19 EP disclosed
WO-2005012327-A2 NUCLEOTIDE PHOSPHORAMIDATES AS ANTICANCER AGENTS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2005-02-10 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-20060142238-A1 Chemical compounds NUDT1, DCK, PNP ALDH1A1 1643/4885OPRD1 2190/4885GRM2 2389/4885

“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.