SCHEMBL1809666

SCHEMBL1809666

CC(N)(Cc1ccc(C(F)(F)F)cc1)C(=O)OCc1ccccc1.O=P(O)(O)Cl

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.58
PTPRC P08575 3/20 0.58
PTPN2 P17706 1/20 0.44
MGLL Q99685 1/20 0.41
BACE1 P56817 2/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL1810261 0.91 PTPN1 (0.51) PTPN1PTPRCBACE1TSHRBLM
SCHEMBL1806977 0.87 PTPN1 (0.49) PTPN1PTPRCBACE1BLM
SCHEMBL1808143 0.82 RAB9A (0.47) PTPN1PTPRC
SCHEMBL1809438 0.80 MMP8 (0.53) PTPN1PTPRCBLM
SCHEMBL13934632 0.80 BACE1 (0.52) PTPN1PTPRCMGLLBACE1BLM
SCHEMBL1811750 0.78 FDPS (0.46) PTPN1PTPN2BLM
Hydrochloric Acid SCHEMBL31407363 0.75 SMN1; SMN2 (0.44) PTPN1PTPRCBACE1TSHRBLM
SCHEMBL12621338 0.74 PTPN1 (0.47) PTPN1PTPRCMGLLTSHRMAOB
SCHEMBL11853678 0.73 ALDH1A1 (0.63) PTPN1PTPRCBACE1TSHRBLM
SCHEMBL6952067 0.73 PTPN1 (1.00) PTPN1PTPRCPTPN2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PTPN1 2740/4885PTPRC 3275/4885PTPN2 3060/4885

“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.