SCHEMBL1808429

SCHEMBL1808429

CCON[C@@H](C)C(=O)OP(=O)(Cl)Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
PPARG P37231 4/20 0.36
EPHX2 P34913 1/20 0.36
MAPT P10636 1/20 0.35
MDH1 P40925 1/20 0.35
MDH2 P40926 1/20 0.35
PPARA Q07869 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
MAOB P27338 1/20 0.34
PSMB5 P28074 1/20 0.34
FPR2 P25090 1/20 0.34
POLB P06746 1/20 0.34
FFAR1 O14842 2/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34

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
SCHEMBL1811770 0.87 ALDH1A1 (0.36) ALDH1A1PPARGMAPTMDH1MDH2
SCHEMBL1809147 0.87 HPGD (0.42) ALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL1809936 0.86 CA1 (0.40) ALDH1A1NPSR1EPHX2PPARARAB9A
SCHEMBL873273 0.84 BTN3A1 (0.41)
SCHEMBL3971351 0.84 BTN3A1 (0.41)
SCHEMBL1808950 0.82 CA1 (0.48) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3970115 0.76 TSHR (0.39)
SCHEMBL3970116 0.76 TSHR (0.39)
SCHEMBL10003821 0.75 SMN1; SMN2 (0.40) ALDH1A1NPSR1MAPTNPC1SMN1; SMN2
SCHEMBL7027815 0.75 PRTN3 (0.39)

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-B1 CHEMICAL COMPOUNDS NuCana plc (GB) 2022-09-07 EP disclosed
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-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 1643/4885NPSR1 2714/4885PPARG 898/4885

“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.