SCHEMBL1808359

SCHEMBL1808359

C[C@H](NOCc1ccccc1)C(=O)OP(=O)(Cl)Oc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
MMP2 P08253 2/20 0.50
CA9 Q16790 2/20 0.50
TP53 P04637 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ELANE P08246 2/20 0.42
PPARG P37231 3/20 0.41
PPARA Q07869 3/20 0.41
PRTN3 P24158 2/20 0.40
KCNA3 P22001 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GPR34 Q9UPC5 1/20 0.38
INPPL1 O15357 1/20 0.38
HPGD P15428 1/20 0.38
ADAMTS5 Q9UNA0 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
SCHEMBL4273425 1.00 CA1 (0.50) CA1CA2MMP2CA9TP53
SCHEMBL857081 0.93 ELANE (0.48) CA1CA2MMP2CA9TP53
SCHEMBL644062 0.92 NPC1 (0.51) CA1CA2MMP2CA9NPC1
SCHEMBL10004061 0.92 NPC1 (0.51) CA1CA2MMP2CA9NPC1
SCHEMBL4277332 0.91 MEN1 (0.43) CA1CA2MMP2CA9TP53
SCHEMBL1807712 0.90 ELANE (0.42) CA1CA2MMP2CA9TP53
SCHEMBL4273322 0.88 PPARG (0.45) CA1CA2MMP2CA9NPC1
SCHEMBL1809484 0.87 NPC1 (0.50) CA1CA2TP53NPC1RAB9A
SCHEMBL1810398 0.87 CTSK (0.44) CA1CA2MMP2CA9TP53
SCHEMBL1809936 0.85 CA1 (0.40) CA1CA2MMP2CA9RAB9A

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 CA1 3410/4885CA2 3388/4885MMP2 4734/4885

“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.