SCHEMBL1811461

SCHEMBL1811461

CCC(c1ccc(Cl)cc1)C(C)(N)C(=O)O.O=P(O)(O)Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
THRB P10828 2/20 0.39
PMP22 Q01453 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 3/20 0.39
CYP2D6 P10635 3/20 0.39
CYP2C19 P33261 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP3A4 P08684 2/20 0.39
PPARA Q07869 2/20 0.39
CYP2C9 P11712 4/20 0.37
HSD17B10 Q99714 1/20 0.37
GABBR2 O75899 3/20 0.37
GABBR1 Q9UBS5 3/20 0.37
ADORA3 P0DMS8 1/20 0.37
NFKB1 P19838 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL1809439 0.89 ALDH1A1 (0.39) LMNACYP2C19CYP2C9HSD17B10
SCHEMBL1806980 0.84 PPARG (0.45) PPARAPPARG
SCHEMBL1809384 0.83 GRM8 (0.43) CYP1A2MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL1814697 0.81 CYP1A2 (0.39) CYP1A2LMNAMAPTTHRBPMP22
SCHEMBL28535986 0.79 CYP2C9 (0.52) CYP1A2LMNAMAPTSMN1; SMN2MEN1
SCHEMBL5425825 0.79 LMNA (0.42) CYP1A2LMNASMN1; SMN2NPSR1MEN1
SCHEMBL28542544 0.77 PTGS2 (0.45) CYP1A2LMNAMAPTSMN1; SMN2CYP2C19
SCHEMBL1810262 0.75 ACP3 (0.45) SMN1; SMN2HTT
SCHEMBL28346158 0.72 PPARA (0.41) CYP1A2LMNAMAPTTHRBPMP22
SCHEMBL606178 0.70 ACHE (0.50) LMNANPSR1CYP2C19PPARACYP2C9

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-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 CYP1A2 3861/4885LMNA 2434/4885MAPT 2641/4885

“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.