SCHEMBL2461576

SCHEMBL2461576

C=C(C)COC(P(=O)(O)O)(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 1/20 0.34

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
SCHEMBL2461829 0.84 BTN3A1 (0.31) BTN3A1
SCHEMBL3996707 0.80 KDM4E (0.33) BTN3A1
SCHEMBL5893319 0.71
SCHEMBL2457236 0.70 BTN3A1 (0.35) BTN3A1
SCHEMBL8467337 0.69 BTN3A1 (0.47) BTN3A1
SCHEMBL300371 0.69
SCHEMBL10246580 0.67
SCHEMBL7248647 0.67 HSD17B10 (0.31)
SCHEMBL12306871 0.67 BTN3A1 (0.37) BTN3A1
SCHEMBL418513 0.65 TSHR (0.41) BTN3A1

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-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-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 BTN3A1 417/4885
US-20060241087-A1 Phosphonates useful as modulators of t $g(g)9$g(d)2 lymphocyte activity CD4, GNG2, PLCG2 BTN3A1 797/4885

“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.