SCHEMBL1809936

SCHEMBL1809936

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP2 P08253 1/20 0.40
CA9 Q16790 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
ABCB11 O95342 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
HTR2A P28223 1/20 0.37
PMP22 Q01453 1/20 0.37
PPARA Q07869 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
GAA P10253 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
GPR55 Q9Y2T6 1/20 0.36
EPHX2 P34913 2/20 0.35
ALDH1A1 P00352 4/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL1809147 0.89 HPGD (0.42) SMN1; SMN2CYP1A2TSHRKMT2AGAA
SCHEMBL873273 0.89 BTN3A1 (0.41) L3MBTL1LMNA
SCHEMBL3971351 0.89 BTN3A1 (0.41) L3MBTL1LMNA
SCHEMBL1808950 0.86 CA1 (0.48) CA1CA2SMN1; SMN2CYP3A4TSHR
SCHEMBL1808429 0.86 ALDH1A1 (0.37) SMN1; SMN2PPARANPSR1EPHX2ALDH1A1
SCHEMBL1811991 0.86 HPGD (0.39) CYP1A2MEN1KMT2ANPSR1ALDH1A1
SCHEMBL1808359 0.85 CA1 (0.50) CA1CA2MMP2CA9PPARA
SCHEMBL4273425 0.85 CA1 (0.50) CA1CA2MMP2CA9PPARA
SCHEMBL3970116 0.80 TSHR (0.39) TSHRL3MBTL1TDP1
SCHEMBL3970115 0.80 TSHR (0.39) TSHRL3MBTL1TDP1

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 13 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-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.