SCHEMBL2457804

SCHEMBL2457804

C=C(C)COCP(=O)(OCC)OCC

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
PPARD Q03181 2/20 0.43
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
BTN3A1 O00481 1/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL9499680 0.79 TSHR (0.60) TSHRPPARDTP53TDP1
SCHEMBL7940743 0.77 TSHR (0.57) TSHRPPARDTP53TDP1
SCHEMBL3633845 0.77 TSHR (0.46) TSHRPPARDTP53TDP1MAPT
SCHEMBL7166415 0.76 ALDH1A1 (0.38) TSHRPPARDMAPTTHRB
SCHEMBL246310 0.76 TSHR (0.50) TSHRPPARDTP53TDP1BTN3A1
SCHEMBL2457236 0.76 BTN3A1 (0.35) BTN3A1
SCHEMBL4821960 0.74 TSHR (0.59) TSHRPPARDTP53TDP1BTN3A1
SCHEMBL5042700 0.73 TSHR (0.43) TSHRPPARDTP53TDP1MAPT
SCHEMBL16978353 0.73 TSHR (0.39) TSHRPPARDTP53TDP1MAPT
SCHEMBL9304075 0.73 TSHR (0.52) TSHRPPARDTP53TDP1

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-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-20060241087-A1 Phosphonates useful as modulators of t $g(g)9$g(d)2 lymphocyte activity MONTERO JEAN-LOUIS 2006-10-26 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 (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 TSHR 1416/4885PPARD 293/4885TP53 1438/4885
US-20060241087-A1 Phosphonates useful as modulators of t $g(g)9$g(d)2 lymphocyte activity CD4, GNG2, PLCG2 TSHR 2353/4885PPARD 529/4885TP53 2022/4885

“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.