SCHEMBL1811752

SCHEMBL1811752

CC(c1ccccc1)C(C)(N)C(=O)O.O=P(O)(O)Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.39
SRC P12931 1/20 0.39
ALDH1A1 P00352 2/20 0.38
ACP3 P15309 3/20 0.38
HDAC3 O15379 3/20 0.38
HDAC4 P56524 3/20 0.38
HDAC1 Q13547 3/20 0.38
ANPEP P15144 1/20 0.38
HDAC6 Q9UBN7 3/20 0.37
ALOX5 P09917 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.36
RIPK1 Q13546 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
SCHEMBL5940495 0.90 CYP2D6 (0.48) CYP1A2CYP2D6CYP2C19SRCALDH1A1
SCHEMBL8496310 0.90 CYP2D6 (0.48) CYP1A2CYP2D6CYP2C19SRCALDH1A1
Hydrochloric Acid SCHEMBL1311457 0.88 CYP2D6 (0.47) CYP1A2CYP2D6CYP2C19SRCALDH1A1
SCHEMBL1814697 0.88 CYP1A2 (0.39) CYP1A2CYP2D6CYP2C19RAB9A
SCHEMBL1810690 0.82 ALDH1A1 (0.44) ALDH1A1NPC1KDM4E
SCHEMBL1809439 0.80 ALDH1A1 (0.39) CYP2C19SRCALDH1A1ACP3ANPEP
SCHEMBL1810262 0.78 ACP3 (0.45) ACP3ANPEP
SCHEMBL29943118 0.78 CYP2D6 (0.43) CYP1A2CYP2D6CYP2C19SRCALDH1A1
SCHEMBL22074727 0.76 BLM (0.47) CYP1A2CYP2D6CYP2C19SRCALDH1A1
SCHEMBL22074723 0.76 BLM (0.47) CYP1A2CYP2D6CYP2C19SRCALDH1A1

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-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
CN-1328565-A Antiviral purine derivatives UNIV CARDIFF (GB) 2001-12-26 CN 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 CYP1A2 3861/4885CYP2D6 2620/4885CYP2C19 2835/4885
US-20010031745-A1 Antiviral purine derivatives PNP, TYMP, MTAP CYP1A2 3072/4885CYP2D6 1659/4885CYP2C19 1714/4885

“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.