SCHEMBL1807712

SCHEMBL1807712

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
PRTN3 P24158 2/20 0.40
GPR34 Q9UPC5 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP2 P08253 1/20 0.39
CA9 Q16790 1/20 0.39
HPGD P15428 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL857081 0.92 ELANE (0.48) ELANENPC1RAB9APRTN3CA1
SCHEMBL644062 0.91 NPC1 (0.51) ELANENPC1RAB9APPARGPPARA
SCHEMBL10004061 0.91 NPC1 (0.51) ELANENPC1RAB9APPARGPPARA
SCHEMBL4273425 0.90 CA1 (0.50) ELANENPC1RAB9APPARGPPARA
SCHEMBL4277332 0.90 MEN1 (0.43) ELANENPC1RAB9APPARGPPARA
SCHEMBL1808359 0.90 CA1 (0.50) ELANENPC1RAB9APPARGPPARA
SCHEMBL1809484 0.86 NPC1 (0.50) ELANENPC1RAB9AALDH1A1CA1
SCHEMBL1809147 0.85 HPGD (0.42) KDM4EALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL4273322 0.85 PPARG (0.45) ELANENPC1RAB9APPARGPPARA
SCHEMBL4634185 0.83 NPC1 (0.44) ELANENPC1RAB9AKDM4EALDH1A1

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 14 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-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-20150167006-A1 OLIGOMERIC COMPOUNDS AND METHODS ISIS PHARMACEUTICALS, INC. (US) 2015-06-18 US 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 ELANE 3975/4885NPC1 1147/4885RAB9A 557/4885

“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.