SCHEMBL1811535

SCHEMBL1811535

CON[C@@H](Cc1ccccc1)C(=O)OP(=O)(Cl)Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
ANPEP P15144 1/20 0.42
LAP3 P28838 1/20 0.42
ATM Q13315 1/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
GLA P06280 1/20 0.41
FPR2 P25090 1/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
THRB P10828 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
ELANE P08246 1/20 0.40
POLB P06746 2/20 0.40
GPR139 Q6DWJ6 1/20 0.40
KMT2A Q03164 2/20 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
SCHEMBL3973573 0.88 GAA (0.43) GAARAB9AANPEPLAP3ATM
SCHEMBL3973571 0.88 GAA (0.43) GAARAB9AANPEPLAP3ATM
SCHEMBL1810431 0.86 ANPEP (0.45) ANPEPLAP3ATMNOS3NOS1
SCHEMBL10004489 0.85 RAB9A (0.49) GAARAB9AATMFPR2ELANE
SCHEMBL5996997 0.81 BTN3A1 (0.40) ANPEPLAP3LMNAELANEPOLB
SCHEMBL643837 0.81 BTN3A1 (0.40) ANPEPLAP3LMNAELANEPOLB
SCHEMBL7022706 0.80 METAP2 (0.44)
SCHEMBL1812174 0.79 ELANE (0.45) RAB9AELANE
SCHEMBL2012767 0.79 ELANE (0.40) ANPEPLAP3ALDH1A1LMNATHRB
SCHEMBL2012770 0.79 ELANE (0.40) ANPEPLAP3ALDH1A1LMNATHRB

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 22 patents — showing the first 20. 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-7115590-B1 Phosphoramidate, and mono-, di-, and tri-phosphate esters of (1R, cis)-4-(6-amino-9H-purin-9-yl)-2-cyclopentene-1-methanol as antiviral agents UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2006-10-03 US disclosed
WO-2005012327-A2 NUCLEOTIDE PHOSPHORAMIDATES AS ANTICANCER AGENTS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2005-02-10 WO disclosed
EP-1235833-B1 ANALOGS OF (1S, CIS)-4-(2-AMINO-9H-PURIN-9-YL)-2-CYCLOPENTENE-1-METHANOL AS ANTIVIRAL GLAXO GROUP LTD (GB) 2004-02-25 EP disclosed
EP-1150988-B1 PHOSPHORAMIDATE, AND MONO-, DI-, AND TRI-PHOSPHATE ESTERS OF (1R, CIS)-4-(6-AMINO-9H-PURIN-9-YL)-2-CYCLOPENTENE-1-METHANOL AS ANTIVIRAL AGENTS GLAXO GROUP LTD (GB) 2003-05-28 EP disclosed
US-20030040506-A1 Analogs of (1s,cis)-4-(2-amino-9h-purin -9-yl) -2-Cyclopentene-1-methanol as antiviral SMITHKLINE BEECHAM CORPORATION 2003-02-27 US disclosed
EP-1117669-B1 ANTIVIRAL PURINE DERIVATIVES UNIV CARDIFF (GB) 2003-01-29 EP disclosed
EP-1235833-A1 ANALOGS OF (1S, CIS)-4-(2-AMINO-9H-PURIN-9-YL)-2-CYCLOPENTENE-1-METHANOL AS ANTIVIRAL GLAXO GROUP LIMITED (GB) 2002-09-04 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-2001042256-A1 ANALOGS OF (1S, cis)-4-(2-AMINO-9H-PURIN-9-YL)-2-CYCLOPENTENE-1-METHANOL AS ANTIVIRAL GLAXO GROUP LIMITED (GB) 2001-06-14 WO 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-20030040506-A1 Analogs of (1s,cis)-4-(2-amino-9h-purin -9-yl) -2-Cyclopentene-1-methanol as antiviral MAVS, ZC3HAV1, HAVCR2 GAA 1967/4885RAB9A 524/4885ANPEP 185/4885
US-20010031745-A1 Antiviral purine derivatives PNP, TYMP, MTAP GAA 727/4885RAB9A 1227/4885ANPEP 143/4885

“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.