SCHEMBL1814697

SCHEMBL1814697

CC(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
SMN1; SMN2 Q16637 2/20 0.39
PMP22 Q01453 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP2D6 P10635 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
PPARA Q07869 1/20 0.38
ADRB2 P07550 1/20 0.38
PRCP P42785 3/20 0.38
BRD4 O60885 1/20 0.37
CYP2C9 P11712 4/20 0.36
GABBR2 O75899 3/20 0.36
GABBR1 Q9UBS5 3/20 0.36
FFAR2 O15552 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
SCHEMBL1811752 0.88 CYP1A2 (0.41) CYP1A2CYP2D6CYP2C19RAB9A
SCHEMBL1810690 0.82 ALDH1A1 (0.44) LMNAMAPTMEN1KMT2A
SCHEMBL1811461 0.81 CYP1A2 (0.39) CYP1A2LMNAMAPTTHRBSMN1; SMN2
SCHEMBL1806980 0.77 PPARG (0.45) PPARA
SCHEMBL25597560 0.77 BLM (0.47) CYP1A2LMNAMAPTCYP2D6CYP3A4
SCHEMBL22074723 0.77 BLM (0.47) CYP1A2LMNAMAPTCYP2D6CYP3A4
SCHEMBL22074727 0.77 BLM (0.47) CYP1A2LMNAMAPTCYP2D6CYP3A4
SCHEMBL30722430 0.77 ALOX5 (0.43) CYP1A2LMNASMN1; SMN2CYP2D6CYP2C19
SCHEMBL5940495 0.77 CYP2D6 (0.48) CYP1A2LMNAMAPTCYP2D6KMT2A
SCHEMBL8496310 0.77 CYP2D6 (0.48) CYP1A2LMNAMAPTCYP2D6KMT2A

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.