SCHEMBL4367124

SCHEMBL4367124

CCOP(=O)(OCCSC(=N)N)OP(=O)(OCC)OCCSC(=N)N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.42
NOS3 P29474 4/20 0.42
NOS2 P35228 4/20 0.42
CYP1A2 P05177 6/20 0.39
HRH4 Q9H3N8 4/20 0.39
TSHR P16473 3/20 0.39
LMNA P02545 3/20 0.39
CYP2C19 P33261 3/20 0.36
CYP2D6 P10635 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 4/20 0.35
MAPT P10636 3/20 0.35
BLM P54132 1/20 0.35
CYP3A4 P08684 1/20 0.34
APEX1 P27695 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HRH2 P25021 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL13707148 0.75 CYP1A2 (0.44) NOS1NOS3NOS2CYP1A2HRH4
Bromide SCHEMBL31738696 0.72 PPARD (0.47) NOS1NOS3NOS2CYP1A2HRH4
Ethyl Pyrophosphate SCHEMBL150611 0.71 TSHR (0.75) TSHRTDP1CYP3A4MEN1KMT2A
Ethyl Pyrophosphate SCHEMBL3783609 0.71 TSHR (0.75) TSHRTDP1CYP3A4MEN1KMT2A
SCHEMBL20524263 0.69 NOS1 (0.43) NOS1NOS3NOS2CYP1A2HRH4
SCHEMBL13707152 0.69 NOS1 (0.39) NOS1NOS3NOS2CYP1A2HRH4
SCHEMBL7565143 0.69 NOS3 (0.61) NOS1NOS3NOS2CYP1A2HRH4
SCHEMBL5097811 0.69 TSHR (0.71) TSHRTDP1CYP3A4MEN1KMT2A
Ethyl Pyrophosphate SCHEMBL4576196 0.69 TSHR (0.71) TSHRTDP1CYP3A4MEN1KMT2A
Diethyl Hydrogen Phosphate SCHEMBL2788463 0.68 NOS3 (0.58) NOS1NOS3NOS2CYP1A2HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592297-B2 Anti-friction anti-wear lubricant additive CATERPILLAR INC. (US) 2009-09-22 US claimed
US-20080103073-A1 Anti-friction anti-wear lubricant additive CATERPILLAR INC. 2008-05-01 US claimed
US-7592297-B2 Anti-friction anti-wear lubricant additive CATERPILLAR INC. (US) 2009-09-22 US disclosed
CN-101535320-A Anti-friction anti-wear lubricant additive CATERPILLAR INC (US) 2009-09-16 CN disclosed
WO-2008054625-A2 ANTI-FRICTION AND ANTI-WEAR LUBRICANT ADDITIVES CATERPILLAR INC. (US) 2008-05-08 WO disclosed
US-20080103073-A1 Anti-friction anti-wear lubricant additive CATERPILLAR INC. 2008-05-01 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-20080103073-A1 Anti-friction anti-wear lubricant additive SSB, F12, F10 NOS1 1289/4885NOS3 1223/4885NOS2 1622/4885

“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.