SCHEMBL1817702

SCHEMBL1817702

CC(C)C[C@H](NOCc1ccccc1)C(=O)OP(=O)(Cl)Oc1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
CTSK P43235 8/20 0.40
CTSS P25774 2/20 0.39
HPGD P15428 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39

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
SCHEMBL1812174 0.87 ELANE (0.45) CTSKCTSSCTSLCTSB
SCHEMBL1810398 0.86 CTSK (0.44) CTSKCTSSCTSL
SCHEMBL28449915 0.82 CTSK (0.46) CTSKCTSSCTSLCTSB
SCHEMBL1809949 0.81 NPC1 (0.47) CTSLCTSB
SCHEMBL4634185 0.79 NPC1 (0.44) HPGD
SCHEMBL7212770 0.78 CTSK (0.46) CTSKCTSSCTSLCTSB
SCHEMBL7212869 0.78 CTSK (0.46) CTSKCTSSCTSLCTSB
SCHEMBL4633819 0.78 TAS1R3 (0.39) NOS3NOS1NOS2
SCHEMBL4634179 0.77 SMN1; SMN2 (0.39)
SCHEMBL10004489 0.76 RAB9A (0.49) CTSKCTSSCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47589-E1 Phosphoramidate compounds and methods of use NuCana plc (GB) 2019-09-03 US 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

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 NOS3 3106/4885NOS1 2801/4885NOS2 2828/4885

“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.