SCHEMBL6380993

SCHEMBL6380993

CCC(=O)CCP(=O)(O)O

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
LPAR3 Q9UBY5 3/20 0.42
LPAR2 Q9HBW0 1/20 0.42
TYMS P04818 1/20 0.41
ALDH1A1 P00352 1/20 0.38
S1PR2 O95136 5/20 0.36
S1PR1 P21453 5/20 0.36
S1PR3 Q99500 5/20 0.36
S1PR4 O95977 4/20 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
SCHEMBL28244619 0.85 LPAR3 (0.50) TDP1LPAR3LPAR2TYMSS1PR2
SCHEMBL1230877 0.76 TYMS (0.43) TDP1LPAR3LPAR2TYMSALDH1A1
SCHEMBL619312 0.73 TDP1 (0.69) TDP1ALDH1A1
SCHEMBL3469239 0.72
SCHEMBL3074006 0.72
Butane SCHEMBL7716762 0.72 FFAR3 (0.50) TDP1LPAR3LPAR2ALDH1A1
SCHEMBL7922676 0.72 PPARD (0.56) TDP1ALDH1A1
SCHEMBL27637770 0.71
SCHEMBL11605560 0.70
SCHEMBL8984748 0.70 TDP1 (0.64) TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075511-A1 Phosphorous organic compounds and their use JOMAA HASSAN (DE) 2005-04-07 US disclosed
US-6812224-B2 A FUNGICIDE, BACTERICIDE TREATING INFECTIONS IN HUMANS, ANIMALS, PLANTS AND HERBICIDE IN PLANTS JOMAA PHARMAKA GMBH (DE) 2004-11-02 US disclosed
US-6753324-B2 USED IN INFECTIONS BY VIRUSES, BACTERIA, FUNGI, AND PARASITES JOMAA HASSAN (DE) 2004-06-22 US disclosed
US-20030045746-A1 Phosphorous organic compounds and their use JOMAA PHARMAKA GMBH (DE) 2003-03-06 US disclosed
US-20030036533-A1 Phosphorous organic compounds and their use JOMAA PHARMAKA GMBH (DE) 2003-02-20 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 (3 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-20030045746-A1 Phosphorous organic compounds and their use PPM1D, PFAS, PPM1F TDP1 1217/4885LPAR3 4175/4885LPAR2 4126/4885
US-20030036533-A1 Phosphorous organic compounds and their use PPM1D, PFAS, PPM1F TDP1 1217/4885LPAR3 4175/4885LPAR2 4126/4885
US-20050075511-A1 Phosphorous organic compounds and their use PFAS, PNPO, PPM1B TDP1 2359/4885LPAR3 2943/4885LPAR2 3406/4885

“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.