SCHEMBL1811991

SCHEMBL1811991

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.39
LMNA P02545 3/20 0.39
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
PTGS2 P35354 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 1/20 0.36
CNR2 P34972 1/20 0.36
NPC1 O15118 1/20 0.36
FPR2 P25090 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TRPA1 O75762 1/20 0.35
PNLIP P16233 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
SCHEMBL10004082 0.92 CA1 (0.38) HPGDMEN1KMT2AHTTNPC1
SCHEMBL1807789 0.88 CYP1A2 (0.37) HPGDLMNAALDH1A1POLBKMT2A
SCHEMBL2008560 0.88 LMNA (0.41) LMNAALDH1A1NPSR1POLBMEN1
SCHEMBL7023448 0.88 APP (0.32) HPGDALDH1A1NPC1
SCHEMBL2008561 0.88 LMNA (0.41) LMNAALDH1A1NPSR1POLBMEN1
SCHEMBL643837 0.88 BTN3A1 (0.40) HPGDLMNANPSR1POLBL3MBTL1
SCHEMBL5996997 0.88 BTN3A1 (0.40) HPGDLMNANPSR1POLBL3MBTL1
SCHEMBL1809936 0.86 CA1 (0.40) LMNAALDH1A1NPSR1MEN1KMT2A
SCHEMBL1807498 0.85 CA1 (0.47) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL1811770 0.85 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ACYP1A2CYP2C19

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 17 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
EP-1117669-B1 ANTIVIRAL PURINE DERIVATIVES UNIV CARDIFF (GB) 2003-01-29 EP disclosed
US-20010031745-A1 Antiviral purine derivatives UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2001-10-18 US disclosed
EP-1117669-A1 ANTIVIRAL PURINE DERIVATIVES UNIVERSITY COLLEGE CARDIFF CONSULTANTS LTD. (GB) 2001-07-25 EP disclosed
WO-2000018775-A1 ANTIVIRAL PURINE DERIVATIVES UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2000-04-06 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 (2 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 HPGD 3031/4885LMNA 2434/4885ALDH1A1 1643/4885
US-20010031745-A1 Antiviral purine derivatives PNP, TYMP, MTAP HPGD 2825/4885LMNA 898/4885ALDH1A1 1940/4885

“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.