SCHEMBL2458491

SCHEMBL2458491

CC(C=O)CCCP(=O)(O)O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
TYMS P04818 1/20 0.46
ENPEP Q07075 1/20 0.44
LPAR3 Q9UBY5 3/20 0.41
LPAR2 Q9HBW0 1/20 0.41
BBOX1 O75936 2/20 0.40
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
NFKB1 P19838 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
S1PR2 O95136 5/20 0.38
S1PR4 O95977 5/20 0.38
S1PR1 P21453 5/20 0.38
S1PR3 Q99500 5/20 0.38
S1PR5 Q9H228 1/20 0.38

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
SCHEMBL559272 0.86 ALDH1A1 (0.45) ALDH1A1TDP1TYMSENPEPLPAR3
SCHEMBL12306864 0.79 BTN3A1 (0.41) ALDH1A1TDP1BLM
SCHEMBL700557 0.77 ALDH1A1 (0.67) ALDH1A1TDP1TYMSENPEPLPAR3
SCHEMBL6899242 0.76 FDPS (0.50) ALDH1A1TDP1
SCHEMBL28617279 0.75 TSHR (0.36) LMNA
SCHEMBL6740341 0.75 TSHR (0.36) LMNA
SCHEMBL10521955 0.73 ADH1B (0.39) LMNA
SCHEMBL8420220 0.73 ALDH1A1 (1.00) ALDH1A1TDP1TYMSENPEPLPAR3
SCHEMBL8422174 0.73 ALDH1A1 (1.00) ALDH1A1TDP1TYMSENPEPLPAR3
SCHEMBL2455708 0.72 PPARD (0.44) ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017596-B2 Phosphonates useful as modulators of T-γ-9-δ-2 activity INNATE PHARMA, S.A. (FR) 2011-09-13 US disclosed
US-8017596-B2 Phosphonates useful as modulators of T-γ-9-δ-2 activity INNATE PHARMA, S.A. (FR) 2011-09-13 US disclosed
US-8017596-B2 Phosphonates useful as modulators of T-γ-9-δ-2 activity INNATE PHARMA, S.A. (FR) 2011-09-13 US disclosed
US-20100204184-A1 Phosphonates useful as modulators of T-gamma-9-delta-2 activity LABORATOIRES MAYOLY SPINDLER (FR) 2010-08-12 US disclosed
US-20100204184-A1 Phosphonates useful as modulators of T-gamma-9-delta-2 activity LABORATOIRES MAYOLY SPINDLER (FR) 2010-08-12 US disclosed
US-20100204184-A1 Phosphonates useful as modulators of T-gamma-9-delta-2 activity LABORATOIRES MAYOLY SPINDLER (FR) 2010-08-12 US disclosed
US-20060241087-A1 Phosphonates useful as modulators of t $g(g)9$g(d)2 lymphocyte activity MONTERO JEAN-LOUIS 2006-10-26 US disclosed
EP-1453840-A1 PHOSPHONATES USEFUL AS MODULATORS OF T-GAMMA-9-DELTA-2 LYMPHOCYTE ACTIVITY Laboratoire Mayoly Spindler (FR) 2004-09-08 EP disclosed
WO-2003050128-A1 PHOSPHONATES USEFUL AS MODULATORS OF T $G(G)9$G(D)2 LYMPHOCYTE ACTIVITY LABORATOIRE MAYOLY SPINDLER (FR) 2003-06-19 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-20100204184-A1 Phosphonates useful as modulators of T-gamma-9-delta-2 activity CD4, PRKCD, PRKCZ ALDH1A1 4279/4885TDP1 2298/4885TYMS 363/4885
US-20060241087-A1 Phosphonates useful as modulators of t $g(g)9$g(d)2 lymphocyte activity CD4, GNG2, PLCG2 ALDH1A1 4789/4885TDP1 2214/4885TYMS 286/4885

“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.